nils-herrmann/clean_scirepeval huggingface dataset:
Raman spectroscopic study of a non-heme iron enzyme soybean lipoxygenase - 1 in low hydrated media

This work is a contribution to the experimental study of the structure-function relationship of enzymes in non conventional media. As it is known that bound water play a determining role on affinity and specificity, we have chosen aqueous media with restricted water content. Water activity of the reaction media was decreased by addition of specific hydrosoluble cosolvents. Laser visible Raman spectroscopy was applied to determine the local (microenvironments of some aromatic residues) and global secondary and/or tertiary conformational changes of the model enzyme in the presence and absence of polyols or sugars at high concentrations.
The Political Economy of Markets and Development: A Case Study of Health Care Consumption in the State of Kerala, India

Marketing theory has largely ignored the issue of power in influencing exchanges. Most of the studies either disregard the role of power, or resource power is the only dimension taken into account. In this study, we expand the existing understanding by centrally situating the role of socio-political power in the consumption process. We examine the health care system in the Indian state of Kerala and highlight that socio-political power is a crucial determinant of consumption levels. In the process, we argue that in a resource—constrained Third World society socio-political empowerment is critical to the development process.
Spatial Dimension of Knowledge Intensive Business Services in Russia

Knowledge intensive business services (KIBS) are characterized by high concentration in large urban areas due to the presence of more developed infrastructure, higher human capital development, proximity to the large customer, etc. However, companies in the KIBS sector have potential for development (new knowledge, experience) in collaboration with agents located in other regions. This paper is focused on the spatial aspects of the knowledge intensive business services sector in Russia. The study is based on a unique empirical data from mass surveys of Russian producers and consumers of KIBS. Comparative analysis of the incoming and outgoing flows of KIBS in Russian regions helps us to classify federal districts by their involvement in KIBS exchange, and to map the intensity of these flows. We have identified regions that are actively involved in both the purchase of services and their delivery outside the regional boundaries (Volga and Central Districts); active regions of consumption with an average level of production (Northwestern and Siberian Districts); and the passive regions, who are only weakly involved in inter-regional exchange of knowledge intensive business services (Ural and Southern Federal Districts)
Classical Description of the Vibrational Spectroscopy, Structure, and Electrostatics of the Halide Solvation Shell with the POLIR Potential.

POLIR (POLarizable for IR) ( 2008, 129, 034504) is a polarizable, flexible, and transferable water potential which describes the IR spectrum in the O-H stretch region via the classical dipole correlation function with simple quantum corrections. POLIR also reproduces experimental spectral shifts in solutions of Ca(2+), Mg(2+), and Cu(2+) ( 2011, 133, 9441-9450). Here we present an extended investigation of POLIR water in the solvation shell of the halides F(-), Cl(-), Br(-), and I(-) using various interaction potentials, polarizabilities, and short-range electrostatic damping parameters. Our results indicate that the correlation of the first solvation shell dipoles produces IR spectra that are in agreement with experiment; that is, vibrational spectral shifts may be obtained with classical mechanics and simple corrections. Calculated ion induced dipoles agree with quantum simulations. Further analysis shows that ion-dependent shifts in the spectra may be attributed to the hydrogen bond O···O-H angle distribution within the first solvation shell, decomposed into ion-water and water-water contributions.
High aspect ratio microstructures on porous anodic aluminum oxide

Various technologies have been developed to fabricate high aspect ratio microstructures on planar surfaces. In this work, we present a technology which exploits the highly ordered pore structure of anodic aluminum oxide. Using this technology, we have fabricated 120pm high microstructures with vertical side walls; we estimate millimeter high structures with aspect ratios exceeding 1000: 1 could be achieved.
Designing an Open Architecture for the Creative Industry

Companies in the Culture and Creative Industry are characterized by highly networked value chains. However, this value network lacks a profound support in terms of information technology and structure resulting in time-consuming and error-prone manual labor. To overcome these challenges, we conceptualize an application framework for creative industries. In particular a software architecture design and a data design will be proposed with the help of a design science research approach. The goal of the resulting application framework is to support the digital transformation of companies in the creative industry towards collaborative networks.
Dying with advanced dementia in long-term care geriatric institutions: a retrospective study.

The aim of this study is to describe the last month of life of severely demented elders in long-term care institutions, and the clinical decisions in the management of their end-of-life events.



Retrospective exploratory study.



Seven Italian long-term care institutions with more than 200 beds.



One hundred forty-one patients with advanced (FAST stage = 7c) dementia (Alzheimer disease, vascular, other kinds of dementia, severe cognitive impairment).



Diagnosis, Mini-Mental State Examination, cause of death. Data were collected from clinical and nursing records referring to the last 30 days of life: symptoms and signs, intensity and incidence, treatments (antibiotics, analgesics, anxiolytics, antidepressants, artificial nutrition/hydration, and use of restraints); the last 48 hours: cardiopulmonary resuscitation attempts and life-sustaining drugs.



Patients were given antibiotics (71.6%), anxiolytics (37.1%), and antidepressants (7.8%). Twenty-nine patients (20.5%) were tube- or percutaneous endoscopic gastrostomy (PEG)-fed. Most patients (66.6%) were also parenterally hydrated (72 intravenously, 15 by hypodermoclysis). Some form of physical restraint was used for 58.2% (bed-rails and other immobilizers). Almost half of the patients had pressure sores. In general, attention to physical suffering was fairly good, but during the last 48 hours a number of interventions could be considered inappropriate for these patients: tube feeding (20.5%), intravenous hydration (66.6%), antibiotics (71.6%), and life-sustaining drugs (34.0%).



Some indicators imply a less than optimal quality of care (restraints, pressure sores, psychoactive drugs, and the lack of documentation of shared decision-making) and suggest that far advanced demented patients are not fully perceived as "terminal."
After the origin of life

SummaryAs to the primary morphogenesis which occurred after the origin of life, two conditions are considered.(a)It must be a non-specific pattern.(b)It must be one of the simplest patterns.
The above conditions are satisfied by the morphogenetic polarity. Actually, the simplest polar pattern is divided into two classes. The first of these is represented by a regional protrusion of the surface of a sphere , and the second by a regional inversion . That means that the first morphogenesis might take place towards two directions: regional protrusion and regional inversion of the globular organism. Both of them might be conditioned by the appearance of protoplasmic polarity.
Surface Modification of Pure Titanium by High Current Pulsed Electron Beam

Polycrystalline pure titanium was irradiated by high-current pulsed electron beam (HCPEB). The microstructure changes and material strength were investigated by using microhardness tester, optical microscope, scanning electron microscopy (SEM), and transmission electron microscopy (TEM) technique. The experimental results indicate that many craters are inevitably formed on the irradiated surface. The eruption of the craters makes the material surface cleaned, which can improve the corrosion resistance of materials. Furthermore, martensitic structure, ultra-fine grains and high-density dislocations are formed on the irradiated surface, which increase the hardness of the treated samples. The microhardness of 20-pulsed sample reaches 286Hv, which is 71% higher than the initial sample. Martensitic transformation, grain refinement and dislocation strengthening induced by HCPEB treatment are the dominating mechanism for the improvements of material strength. It is suggested that HCPEB technique is becoming an effective approach to surface modification for pure titanium and titanium alloy.
Geophysical Interpretation and Formation Mechanism of the Yandang Low Uplift in the East China Sea Shelf Basin

The Yandang Low Uplift is a significant tectonic unit of the East China Sea Shelf Basin, which has previously received little attention. Based on the geophysical interpretation of seismic, gravity and magnetic data, Mesozoic distributions and basin structures are studied in this work to reveal formation mechanism of the Yandang Low Uplift. Our results show that the Yandang Low Uplift is characterized by a series of circular gravity highs which trend NE in free air gravity anomaly map and residual gravity anomaly map, but magnetic lows of about −60∼–160 nT in △T magnetic anomaly map, including some magnetic highs caused by magma intrusion. The uplift lies between the Oujiang Sag and the Minjiang Sag along a discontinuous NE-trending axis, about 170 km long and 15∼50 km wide. Jurassic and Cretaceous strata are widely distributed on the uplift, with a thickness of about 500∼1500 m, and cover a total area of about 5000 km2 with some local absence. The Oujiang Sag distinctly differs from the Minjiang Sag in the structure of Mesozoic basin. The former is a typical faulted basin bordered by En-echelon faults to the east, where Mesozoic half-grabens and tilted fault blocks are well developed. However, the latter is a down-warped basin with few faults and igneous rocks, where Mesozoic compressional anticlines, faulted anticlines and inverted structures are well developed. Above all, this study deduces that the Yandang Low Uplift is a palaeo-uplift comprised of Proterozoic strata and distinct from the Taipei Low Uplift. Furthermore, the Yandang Low Uplift and the Zhe-Min Uplift might be joined in a single entity in Jurassic, and divided into two parts in late Cretaceous.
EXPLICIT SOLUTION OF THE QUANTUM THREE-BODY CALOGERO-SUTHERLAND MODEL

The class of quantum integrable systems associated with root systems was introduced by Olshanetsky and Perelomov as a generalization of the Calogero - Sutherland systems. It was recently shown by one of the authors that for such systems with a potential , the series in the product of two wavefunctions is the -deformation of the Clebsch - Gordan series. This yields recursion relations for the wavefunctions of those systems and, related to them, for generalized zonal spherical functions on symmetric spaces. In this letter this approach is used to compute the explicit expressions for the three-body Calogero - Sutherland wavefunctions, which are the Jack polynomials. We conjecture that similar results are also valid for the more general two-parameters deformation (-deformation) introduced by Macdonald.
PERSPECTIVES OF NUCLEAR PHYSICS

The organizers of this meeting have asked me to present perspectives of nuclear physics. This means to identify the areas where nuclear physics will be expanding in the next future. In six chapters a short overview of these areas will be given, where I expect that nuclear physics willdevelop quite fast: A. Quantum Chromodynamics and effective field theories in the confinement region; B. Nuclear structure at the limits; C. High energy heavy ion collisions; D. Nuclear astrophysics; E. Neutrino physics; F. Test of physics beyond the standard model by rare processes. After a survey over these six points I will pick out a few topics where I will go more in details. There is no time to give for all six points detailed examples. I shall discuss the following examples of the six topics mentionned above: 1. The perturbative chiral quark model and the nucleon $\Sigma$-term, 2. VAMPIR (Variation After Mean field Projection In Realistic model spaces and with realistic forces) as an example of the nuclear structure renaissance, 3. Measurement of important astrophysical nuclear reactions in the Gamow peak, 4. The solar neutrino problem. As examples for testing new physics beyond the standard model by rare processes I had prepared to speak about the measurement of the electric neutron dipole moment and of the neutrinoless double beta decay. But the time is limited and so I have to skip these points, although they are extremely interesting.
Isomorphisms - A Link Between the Shallow and the Deep

We present a theory of isomorphisms between typed sets in Isabelle/ HOL. Those isomorphisms can serve to link a shallow embedding with a theory that defines certain concepts directly in HOL. Thus, it becomes possible to use the advantage of a shallow embedding that it allows for efficient proofs about concrete terms of the embedded formalism with the advantage of a deeper theory that establishes general abstract propositions about the key concepts of the embedded formalism as theorems in HOL.
Reading City of Quartz in Ankara: Two years of magical thinking in Orhan Pamuk's Middle East 1

Turks still refuse to admit responsibility for the massacre of Armenians nearly a hundred years ago. Denial and projection have become a way of life, in which the West is blamed for everything. Looking back in 2004 from his residence in Turkey on his home in northern California, where they blame themselves for everything, the author realized that liberal, tolerant, multi-confessional, multiethnic, postmodern society is not so bad. Its enemies are worse. If Mike Davis and Joan Didion seemed overly pessimistic in this context, Kevin Starr and Peter Schrag offered more balanced perspectives. Rereading Orhan Pamuk and Azar Nafisi upon returning to California in 2006, he was struck by the way these authors helped him to grasp the ‘Occidentalist’ prejudice and confusion that distorts the image of California and the United States abroad in the Middle East today.
Some Issues on Agent Ownership 1

Agent ownership is a complex issue that crosses legal domains. There are at least two different dimensions to agent ownership. On one dimension, an agent is a piece of software and as such it is an intellectual property which belongs to its owner and is governed by the law on intellectual property. On another dimension, a software agent can act like a business agent. In this paper we discuss some of the social and legal ramifications of software agents and highlight areas where agent ownership will be of interest.
Role of heterogeneity in elastic properties and layer thickness in the jointing of layered sedimentary rocks: ROLE OF HETEROGENEITY OF LAYERED SEDIMENTARY ROCKS

We investigate how overburden weight acts in conjunction with heterogeneity in elastic properties between sedimentary layers to induce the tensile stress necessary for regional jointing. Model results are supported by data from a new experimental design in which an aluminum loading frame sandwiches a tabular specimen of brittle material of varying thickness between two layers of rubber. Load is applied perpendicular to the layering. The aluminum load frame only permits the rubber layers to expand in one direction, leading to the formation of a system of parallel fractures in the brittle layer as the rubber extends uniaxially. The initiation of the first fractures is independent of the layer thickness. As fracture spacing decreases below the layer thickness, mechanical interaction between closely-spaced fractures limits the initiation of additional fractures. The onset of mechanical inhibition of additional fracture growth occurs at greater normalized fracture spacings in thinner layers.
A PROOF OF THE MELVIN–MORTON CONJECTURE AND FEYNMAN DIAGRAMS

The Melvin–Morton conjecture says how the Alexander–Conway knot invariant function can be read from the coloured Jones function. It has been proved by D. Bar-Natan and S. Garoufalidis. They reduced the conjecture to a statement about weight systems. The proof of the latter is the most difficult part of their paper. We give a new proof of the statement based on the Feynman diagram description of the primitive space of the Hopf algebra of chord diagrams.
The notion of place in the construction of history, nostalgia and heritage

In this paper, we investigate the links between place and time, and the intersections between the geographical imagination and the historical mind. These issues are explored in the context of Singapore by looking at the links between place and three concepts usually associated with the temporal sense — history, nostalgia and heritage. We argue that the two imaginations can be simultaneously engaged by means of a focus on the concept of place. The making of a place is closely intertwined with individual biographies and collective histories; at the same time, place does not record history in an unproblematic way. We next argue that a sense of nostalgia is a yearning to return to a lost period and place and why memory is often best served by anchoring it in the materiality of place. This is precisely the case in the inscription of heritage into the concrete elements of specific sites as a state strategy to codify and naturalise its own version of heritage as part of the the everyday, visible world. In concluding, we reflect on the salience of place. While it lends itself to ideological uses by the powerful, a sense of place is also equally significant in the experiences and aspirations of a people.
Manganese(V) Porphycene Complex Responsible for Inert C-H Bond Hydroxylation in a Myoglobin Matrix.

A mechanistic study of H2O2-dependent C-H bond hydroxylation by myoglobin reconstituted with a manganese porphycene was carried out. The X-ray crystal structure of the reconstituted protein obtained at 1.5 Å resolution reveals tight incorporation of the complex into the myoglobin matrix at pH 8.5, the optimized pH value for the highest turnover number of hydroxylation of ethylbenzene. The protein generates a spectroscopically detectable two-electron oxidative intermediate in a reaction with peracid, which has a half-life up to 38 s at 10 °C. Electron paramagnetic resonance spectra of the intermediate with perpendicular and parallel modes are silent, indicating formation of a low-spin MnV-oxo species. In addition, the MnV-oxo species is capable of promoting the hydroxylation of sodium 4-ethylbenzenesulfonate under single turnover conditions with an apparent second-order rate constant of 2.0 M-1 s-1 at 25 °C. Furthermore, the higher bond dissociation enthalpy of the substrate decreases the rate constant, in support of the proposal that the H-abstraction is one of the rate-limiting steps. The present engineered myoglobin serves as an artificial metalloenzyme for inert C-H bond activation via a high-valent metal species similar to the species employed by native monooxygenases such as cytochrome P450.
Experience with Embedding Hardware Description Languages in HOL

The semantics of hardware description languages can be represented in higher order logic. This provides a formal deenition that is suitable for machine processing. Experiments are in progress at Cambridge to see whether this method can be the basis of practical tools based on the HOL theorem-proving assistant. Three languages are being investigated: ELLA, Silage and VHDL. The approaches taken for these languages are compared and current progress on building semantically-based theorem-proving tools is discussed.
Politics and the Regulation of Business

Why may government regulation be a useful complement to business self-regulation in the financial services industry, while largely unneeded or even detrimental for e-commerce? We develop a game-theoretic model wherein a government establishes a mandate for product quality without possessing effective enforcement abilities, and a firm chooses whether to ignore, comply with, or exceed the government quality standard. After bringing a product to market, the firm faces the possibility of political or interest group reactions, such as being the focus of a lawsuit or activist campaign. Equilibrium results show how the threat of lawsuits or interest group activism can complement governmental regulations to discipline the choices of businesses. The model establishes conditions under which certain types of firms in certain environments react favorably or unfavorably to government regulations.
Fundamental concepts of environmental science: Some reflections

Despite the recent proliferation of courses in Environmental Science/Studies, a consensus concerning the nature of the subject matter involved has yet to develop. Certain key concepts (systems, resources, the ecosystem, the ecosystem‐watershed, interdisciplinarity) have however, been identified, and the history and role of these in Environmental Science is described. An example of a foundation year undergraduate course in Environmental Science based on the concepts is then described, and some personal observations on the relationships between Environmental Science and some of its allied disciplines added.
Comparative Study of Binding Behaviour of Cu(II) with Humic Acid and Simple Organic Compounds by Ultrasound Spectrometry

Several simple organic (hydroxy)acids as models of principal functional moieties of humic acids and the copper ion as a model ion were used to investigate the metal-humic interactions. The quantum chemical calculations have been performed showing differences in the interaction strength and stability of the metal-acid complexes formed by different aromatic mono- and polycarboxylic acids and their hydroxyl-containing analogues. In this study, new results from the high resolution ultrasound spectroscopy will be presented. The ultrasound propagation velocity, which is sensitive to the intermolecular interactions, has been measured during titration of the models by solution of the copper(II) salt. The dependence of ultrasound velocity on added amount of the copper(II) ions enabled to follow the metal interactions with the individual functional groups and to elucidate the effect of structure of complexing molecule on its binding with the metal. Changes in the slope of the dependence were used to find the saturation of binding and to follow changes of hydration of interacting species. The differences observed for the individual models show that there are active centers not only with various strength and stability of the formed complexes but also with their various rigidity and ability of conformational changes.
Transfer Programs Under Alternative Insurance Schemes and Liquidity Constraints

We consider a dynamic allocation problem under alternative insurance and capital market regimes and proper risk aversion separate from intertemporal substitution. We apply the model to study the effect of one-size-fits-all transfers. We find that one-size-fits-all transfers can have different and diametrically opposed qualitative and quantitative effects on consumption, investment, expected growth of output and consumption and the fair price of insurance of the risky technology. The differences depend upon the regime of insurance to the risky technology, the regime of capital markets and the proper separate measures of risk aversion and intertemporal substitution.