nils-herrmann/clean_scirepeval huggingface dataset:
Gas-Phase Reactions of Copper Oxide Cluster Cations with Ammonia: Selective Catalytic Oxidation to Nitrogen and Water Molecules.

Reactions of copper oxide cluster cations, Cu nO m+ ( n = 3-7; m ≤ 5), with ammonia, NH3, are studied at near thermal energies using a guided ion beam tandem mass spectrometer. The single-collision reactions of specific clusters such as Cu4O2+, Cu5O3+, Cu6O3+, Cu7O3+, and Cu7O4+ give rise to the release of H2O after NH3 adsorption efficiently and result in the formation of Cu nO m-1NH+. These Cu nO m+ clusters commonly have Cu average oxidation numbers of 1.0-1.4. On the other hand, the formation of Cu nO m-1H2+, i.e., the release of HNO, is dominantly observed for Cu7O5+ with a higher Cu oxidation number. Density functional theory calculations are performed for the reaction Cu5O3+ + NH3 → Cu5O2NH+ + H2O as a typical example of H2O release. The calculations show that this reaction occurs almost thermoneutrally, consistent with the experimental observation. Further, our experimental studies indicate that the multiple-collision reactions of Cu5O3+ and Cu7O4+ with NH3 lead to the production of Cu5+ and Cu7O+, respectively. This suggests that the desirable NH3 oxidation to N2 and H2O proceeds on these clusters.
Characteristics and Outcomes of In-Hospital Palliative Care Consultation among Patients with Renal Disease Versus Other Serious Illnesses.

Despite significant morbidity and mortality associated with ESRD, these patients receive palliative care services much less often than patients with other serious illnesses, perhaps because they are perceived as having less need for such services. We compared characteristics and outcomes of hospitalized patients in the United States who had a palliative care consultation for renal disease versus other serious illnesses.



In this observational study, we used data collected by the Palliative Care Quality Network, a national palliative care quality improvement collaborative. The 23-item Palliative Care Quality Network core dataset includes demographics, processes of care, and clinical outcomes of all hospitalized patients who received a palliative care consultation between December of 2012 and March of 2016.



The cohort included 33,183 patients, of whom 1057 (3.2%) had renal disease as the primary reason for palliative care consultation. Mean age was 71.9 (SD=16.8) or 72.8 (SD=15.2) years old for those with renal disease or other illnesses, respectively. At the time of consultation, patients with renal disease or other illnesses had similarly low mean Palliative Performance Scale scores (36.0% versus 34.9%, respectively; P=0.08) and reported similar moderate to severe anxiety (14.9% versus 15.3%, respectively; P=0.90) and nausea (5.9% versus 5.9%, respectively; P>0.99). Symptoms improved similarly after consultation regardless of diagnosis (P≥0.50), except anxiety, which improved more often among those with renal disease (92.0% versus 66.0%, respectively; P=0.002). Although change in code status was similar among patients with renal disease versus other illnesses, from over 60% full code initially to 30% full code after palliative care consultation, fewer patients with renal disease were referred to hospice than those with other illnesses (30.7% versus 37.6%, respectively; P<0.001).



Hospitalized patients with renal disease referred for palliative care consultation had similar palliative care needs, improved symptom management, and clarification of goals of care as those with other serious illnesses.
Stable isotope fractionation of biomonomers during protokerogen formation

The condensation of amino acids and sugars (Maillard reaction) is one possible diagenetic pathway for the formation of humic materials in sediments. In this study, aqueous solutions of alanine and glucose were heated (100°C) for up to 40 days. The δ 13 C- and δ 13 N-values of reactants and products were monitored. With increased heating time, the stable carbon and nitrogen isotope compositions of the unreacted alanine in solution were enriched by up to 8.8‰ and 2.7‰, respectively, relative to their initial compositions. In contrast, the insoluble melanoidin product and alanine recovered by acid hydrolysis of the melanoidin were both depleted in 13 C and 15 N relative to the starting materials. The magnitude of this isotopic fractionation varied as a function of the relatieve concetration of alanine to glucose in the starting solution. The CO 2 that evolved during the reaction is depleted in 13 C relative to the initial δ 13 C composition of alanine and its car☐yl group, suggesting that 13 C-depleted amino acids initially condense with glucose to form insoluble melanoidins. Subsequent to melanoidin formation, a second isotope fractionation takes place whereby 13 C-depleted car☐yl groups are preferentially cleaved from the melanoidin. Assuming that humic substances may form in natural environments via condensation reactions like the Maillard reaction, it is hypothesized that the stable isotope fractionation that occurs during the transformation of organic matter to humic materials and kerogen might be at least partially explained by kinetic effects during condensation reactions rather than decar☐ylation of the primary amino acids.
Process Model Matching with Word Embeddings

Business process models are widely pronounced as valuable assets for every organization. Given that manual management of these process models requires substantial human effort, process model repositories have been developed to effectively manage these models. The key features of these repositories include process model searching, clone detection, duplicate avoidance, and process harmonization. The usefulness of all these features depends upon the accuracy of the underlying process model matching technique. Process Model Matching (PMM) refers to identifying corresponding activities between a pair of process models that represent the same or similar functionality. Recognizing the importance of PMM, a plethora of matching techniques have been developed. Despite the presence of these techniques, the need for enhancing the accuracy of PMM have been widely pronounced in recent studies. To that end, this paper proposes a word embeddings based approach to enhance the accuracy of PMM. For the evaluation of the proposed approach, we have used three state-of-the-art word embeddings, Word2vec, Glove, and fastText, for experiments on three benchmark datasets. The results show that the fastText generated embeddings, that are recently released by Facebook Inc., are the most suitable embeddings for process model matching.
Ensamblando datos. SIG y la historia humana del Valle de Oukaïmeden

Geographic Information Systems have become recently a methodological device to analyze the social configuration of historical landscapes. This paper deals with mobility and visibility as basic agents of the landscape organization, which is in turn, one of the theoretical bases of ARPA’s project. Hence, the need of applying these methodological tools to achieve a deeper knowledge of that process. GIS techniques show a direct connection between rock art or tumuli and the most efficient lines of movement, the best visibility orientations or the wet areas. Following Annales’ idea of Longue Duree, this paper traces the human process of modelling the Oukaimeden landscape, from prehistoric times to more recent, historical ones, in which the control of critical resources and of mobility played a key role.
Teaching & Learning Guide for: What is at Stake in the Cartesian Debates on the Eternal Truths?

Any study of the ‘Scientific Revolution’ and particularly Descartes’ role in the debates surrounding the conception of nature (atoms and the void v. plenum theory, the role of mathematics and experiment in natural knowledge, the status and derivation of the laws of nature, the eternality and necessity of eternal truths, etc.) should be placed in the philosophical, scientific, theological, and sociological context of its time. Seventeenthcentury debates concerning the nature of the eternal truths such as ‘2 + 2 = 4’ or the law of inertia turn on the question of whether these truths were created along with nature, or were uncreated and subsisting in God’s mind. One’s answer to that question has direct consequences for conceptions of the necessity ⁄ contingency of mathematical and natural knowledge, how knowledge of such truths is accomplished by humans, and what grounds these truths. In this paper, I review the positions of four successors to Descartes’ philosophy on the question of the eternal truths to illustrate how in specific ways that question with its theological, metaphysical, modal, and epistemological dimensions concerned the objectivity and certainty of the discoveries of the new science.
A LIMITING FIRST ORDER REALIZABILITY INTERPRETATION

Constructive Mathematics might be regarded as a fragment of classical mathematics in which any proof of an existence theorem is equipped with a computable function giving the solution of the theorem. Limit Computable Mathematics (LCM) considered in this note is a fragment of classical mathematics in which any proof of an existence theorem is equipped with a function computing the solution of the theorem in the limit. Computation in the limit, or more formally, limiting recursion, is a central notion of learning theory by Gold and Putnam 9, 21, 18]. We will show that a realizability interpretation via limiting recursive functions is a natural modeling of LCM for rst order arithmetic. We will point out that this will enable automatic extraction of limit-algorithms from some classical proofs of well-known transsnite theorems, e.g., Hilbert's original proof of his famous nite basis theorem, once blamed as \theology" by P. Gordan.
Effects of substrate temperature and RF power on the formation of aligned nanorods in ZnO thin films

We report on the effects of substrate temperature and RF power on the formation of aligned nanorod-like morphology in ZnO thin films. ZnO thin films were sputter-deposited in mixed Ar and N2 gas ambient at various substrate temperatures and RF powers. We find that the substrate temperature plays more important role than RF power in the formation of ZnO nanorod-like morphology. At low substrate temperatures (below 300°C), ZnO nanorod-like morphology does not form regardless of RF powers. High RF power helps to promote the formation of aligned ZnO nanorod-like morphology. However, lower RF powers usually lead to ZnO films with better crystallinity at the same substrate temperatures in mixed Ar and N2 gas ambient and therefore better photoelectrochemical response.
After a dozen years of progress the origin of angiosperms is still a great mystery

Here we discuss recent advances surrounding the origin of angiosperms. Putatively primitive characters are now much better understood because of a vastly improved understanding of angiosperm phylogenetics, and recent discoveries of fossil flowers have provided an increasingly detailed picture of early diversity in the angiosperms. The ‘anthophyte theory’, the dominant concept of the 1980s and 1990s, has been eclipsed; Gnetales, previously thought to be closest to the angiosperms, are related instead to other extant gymnosperms, probably most closely to conifers. Finally, new theories of flower origins have been proposed based on gene function, duplication and loss, as well as on morphology. Further studies of genetic mechanisms that control reproductive development in seed plants provide a most promising avenue for further research, including tests of these recent theories. Identification of fossils with morphologies that convincingly place them close to angiosperms could still revolutionize understanding of angiosperm origins.
A Unified Framework for Analyzing Closed Queueing Networks in Bike Sharing Systems

During the last decade bike sharing systems have emerged as a public transport mode in urban short trips in more than 500 major cities around the world. For the mobility service mode, many challenges from its operations are not well addressed yet, for example, how to develop bike sharing systems to be able to effectively satisfy the fluctuating demands both for bikes and for vacant lockers. To this end, it is key to conduct performance analysis of bike sharing systems. This paper first describes a large-scale bike sharing system. Then the bike sharing system is abstracted as a closed queueing network with multi-class customers, where the virtual customers and the virtual nodes are set up, and the service rates as well as the relative arrival rates are established. Finally, this paper gives a product-form solution to the steady state joint probabilities of queue lengths, and provides a performance analysis of the bike sharing system. Therefore, this paper provides a unified framework for analyzing closed queueing networks in the study of bike sharing systems. We hope that the methodology and results of this paper can be applicable in the study of more general bike sharing systems.
Agency Relationships, Embeddedness and Employment Relations:

Economic sociology, for all its successes, is yet to develop an explanation of recent growth in market-driven policies such as flexibility in the use of labour and precarious employment. Embeddedness-centred perspectives in economic sociology are unlikely to correct this omission because their objective is to show that market-driven practices are not what they seem, i.e. that under a closer examination they also prove the embeddedness thesis. However, if the current labour market practices and those of two decades ago both represent embedded economic relations, then the concept of embeddedness sheds little light on key social and economic processes of our times. This article, inspired by the role that organized labour played in recent market transitions in Eastern Europe, demonstrates that a theory of agency relationship is a necessary addition to the embeddedness thesis, if economic sociology is to account for labour's present tendency to eschew social protection.
Dialogues along a North-South Axis

AbstractThis article examines commonalities and differences between the literary and artistic avant-gardes in Mexico and Peru during the 1920s, as well as instances of direct exchange between Mexican writers and artists and Peruvian exiles in Mexico. It traces the ways in which works of literature and art conceptualized the avant-garde in relation to modernity and/or social justice. Debates around contemporary aesthetics, especially the perspectives of Jose Carlos Mariategui and Victor Raul Haya de la Torre, are addressed, as are the Mexican avant-garde movements Estridentismo and ꜟ30-30!.
Catecholase biomimetic catalytic activity of copper(II) complexes with 2-methyl-3-amino-(3H)-quinazolin-4-one

The oxidation of catechol by molecular oxygen in the presence of a catalytic amount of copper(II) complex with 2-methyl-3-amino-(3H)quinazoline-4-one (MAQ) and various anions (Cl−, Br−, ClO4−, SCN−, NO3− and SO4–) was studied. The catecholase biomimetic catalytic activity of the copper(II) complexes has been determined spectrophotometrically by monitoring the oxidative transformation of catechol to the corresponding light absorbing o-quinone (Q). The rate of the catalytic oxidation reaction was investigated and correlated with the catalyst structure, time, concentration of catalyst and substrate and finally solvent effects. Addition of pyridine or Et3N showed a dramatic effect on the rate of oxidation reaction. Kinetic investigations demonstrate that the rate of oxidation reaction has a first order dependence with respect to the catalyst and catechol concentration and obeying Michaelis–Menten Kinetics. It was shown that the catalytic activity depends on the coordination environment of the catalyst created by the nature of counter anions bound to copper(II) ion in the complex molecule and follows the order: Cl− > NO3− > Br− > SO4– > SCN− > ClO4−. To further elucidate the catalytic activity of the complexes, their electrochemical properties were investigated and the catecholase mimetic activity has been correlated with the redox potential of the Cu2+/Cu+ couple in the complexes.
Fraudulent Financial Reporting: How Do We Close the Knowledge Gap?

Fraudulent financial reporting (FFR) is an issue of great concern to the business community. Previous academic and professional research offers important insights into the FFR problem; however, FFR remains difficult to detect and represents an ongoing, serious threat to investor confidence. We believe that much more remains to be learned about FFR, and we offer a host of future research questions, using the fraud diamond to organize our thinking. Answering these questions will require a “marriage” between researchers, who have the necessary analysis skills, and practitioners and regulators, who have access to rich data underlying instances of FFR. A national fraud center, as envisioned by the U.S. Treasury’s Advisory Committee on the Auditing Profession (ACAP 2008), may provide the platform for bringing together researchers and those with data, so that our understanding of FFR can expand. Such understanding is the key to preventing and detecting FFR in the future.
Western and Non-Western Views of the Social and Behavioral Sciences: De-Westernizing the Social and Behavioral Sciences

The expression de-Westernization of the Human and Behavioral Sciences refers to two different trends. First, it designates their diffusion outside their Western context of origins, through the establishment of national universities and disciplines, the migrations of scholars, the internationalization of scientific organizations, etc. In the second sense, it stands for the attempts to create Human and Behavioral Sciences not predicated on Western epistemological frameworks. Theses two trends have developed since the nineteenth century and have led to a wide range of situations, with the assimilation of the Western scientific apparatus being linked to their more or less partial rejection.
Beyond Monetization: Creating Value through Online Social Networks

Social networking sites are typically monetized via side payments, buy-clubs and affiliate programs, access controls, aggregation of content and integrated mobile platforms. However, there are other often untapped ways to create value through social networks, especially those related to enhanced interaction with customers, and knowledge creation and dissemination within organizations. In this article, we shed new light on those new ways to create value and how they differ from conventional revenue streams.
Interaction of beta-lactoglobulin and cytochrome c: complex formation and iron reduction.

Lactoglobulin forms a soluble complex with cytochrome c in mildly alkaline solutions of low ionic strength. Sedimentation velocity experiments suggest that the complex (maximum s 20 = 3.7) consists of one cytochrome c molecule per β-lactoglobulin monomer unit. At pH 8 or higher, the presence of β-lactoglobulin causes reduction of ferri- to ferrocytochrome c . The initial rate of reduction at a single temperature depends primarily on the concentration of β-lactoglobulin, although the final percentage ferrocytochrome c obtained is constant at molar ratios of three or more β-lactoglobulin monomers to one cytochrome c molecule. The temperature dependence of the initial rate of iron reduction resembles that for alkaline denaturation of β-lactoglobulin. The displacement of N -dansylaziridine, a sulfhydryl specific dye, from bovine β-lactoglobulin during iron reduction, and the formation of nonreducing complexes between the analogous swine protein (no sulfhydryls) and cytochrome c suggest that the sulfhydryl group of β-lactoglobulin is the electron donor.
Continuous Partial Oxidation of Methane to Methanol Catalyzed by Diffusion-Paired Copper Dimers in Copper-Exchanged Zeolites.

Copper-exchanged zeolites can continuously and selectively catalyze the partial oxidation of methane to methanol using only oxygen and water at low temperatures, but the genesis and nature of the active sites are currently unknown. Herein, we demonstrate that this reaction is catalyzed by a [Cu-O-Cu]2+ motif that forms via a hypothesized proton-aided diffusion of hydrated Cu ions within the cages of SSZ-13 zeolites. While various Cu configurations may be present and active for methane oxidation, a dimeric Cu motif is the primary active site for selective partial methane oxidation. Mechanistically, CH4 activation proceeds via rate-determining C-H scission to form a surface-bound C1 intermediate that can either be desorbed as methanol in the presence of H2O/H+ or completely oxidized to CO2 by gas-phase O2. High partial oxidation selectivity can be obtained with (i) high methane and water partial pressures and (ii) maximizing Cu dimer formation by using zeolites with high Al content and low Cu loadings.
Interactions and compatibility of ribuloso-1,5-bisphosphate carboxylase/oxygenase from alfalfa with pectin in aqueous medium.

HPLC, dynamic light scattering, CD- and fluorescent spectroscopy, and phase analysis methods are used to study the effect of Coulomb and non-Coulomb interactions between alfalfa rubisco and pectin on their thermodynamic compatibility. In the acid region of pH, water insoluble interpolymer complexes stabilized by both the Coulomb and non-Coulomb bonds are formed. In the neutral and alkaline regions, the complexes soluble in water are formed via non-Coulomb bonds, due to both the hydrophobic interaction involving the ester groups of pectin and the hydrogen bonding between dissimilar molecules. The compatibility of these biopolymers is sensitive to the esterification degree of pectin. With the latter increasing, compatability increases at neutral pH, but decreases considerably in the acidic region.
Neogene diatoms of Cuitzeo Lake, central sector of the Trans-Mexican Volcanic Belt and their relationship with the volcano-tectonic evolution

Cuitzeo, within the central sector of the Trans-Mexican Volcanic Belt, forms part of a series of palaeolakes of tectonic origin, limited by E-W or NE-SW trending major faults. The lake basin itself is subdivided into half-grabens, where the blocks are tilted southward; this tectonic disposition results in a series of sedimentary environments such as terrigenous facies (near step faults) that have an influence on the lake hydrology and, therefore, on sedimentary and biogenic facies associations. In outcrops of palaeolake Cuitzeo, the deposits are formed by three members that correspond to three well marked cycles of sedimentation. The basal, predominantly formed by clays, a diatom-rich intermediate one and an upper one, formed by silts and pyroclastic deposits that close the limnic cycle. Two interruptions are observed within the lacustrine development, the first associated with an oxidized horizon and the second with an erosional conglomerate of tectonic origin. A marker diatom species for the Miocene-Pliocene boundary ( Thalassiosira cuitzeonensis nov. sp. ) was found that enables differentiation of the most ancient sequences from the most recent ones.
Liberty v. Libel: Disparity and Reconciliation in Freedom of Expression Theory

Diverse theoretical positions in freedom of expression have established varying values relevant to democracy. This essay offers a broad-based critique of the state of freedom of expression theory, which it illuminates in a synthesis of libertarian, utilitarian, conservative, critical-cultural and postmodern positions. It argues in favor of reconciling the disparate theoretical positions in order to move the information society toward a common jurisdiction for libel lawsuits so that any chilling effect, caused by a difficulty in predicting law, procedure, and location, is dissipated. It finally identifies contours of the proposed theoretical reconciliation.