Miracle-dz/UniFAR-FTUs huggingface dataset:
The nature of hydrogen in x‐ray photoelectron spectroscopy: General patterns from hydroxides to hydrogen bonding

Important progressive alterations in chemical bonding are often realized through correlations with shifts in the x‐ray photoelectron spectroscopy (XPS) binding energies of key elements. For example, there are useful general XPS shifting schemes for such systems as oxides, nitrides, halides, and even various functional groups in organics. Very general patterns, based upon location in the periodic table, exist for many of these materials even when the structure is not strongly considered. Unfortunately, apparently because of the lack of direct XPS detection of hydrogen, there seems to be no general statements in the literature for describing hydrogen‐containing compounds, despite the fact that synergistic shifts obviously exist in the XPS spectra of elements attached to hydrogen (e.g., for M–O–H vs M–O–M units, where M is a typical metal). While not attempting a complete review paper, in the present work we use XPS shifting patterns to evolve a series of interrelated covalency/ionicity arguments to help exp.
Exponential ergodicity of the bouncy particle sampler

Non-reversible Markov chain Monte Carlo schemes based on piecewise deterministic Markov processes have been recently introduced in applied probability, automatic control, physics and statistics. Although these algorithms demonstrate experimentally good performance and are accordingly increasingly used in a wide range of applications, geometric ergodicity results for such schemes have only been established so far under very restrictive assumptions. We give here verifiable conditions on the target distribution under which the Bouncy Particle Sampler algorithm introduced in \cite{P_dW_12} is geometrically ergodic. This holds whenever the target satisfies a curvature condition and has tails decaying at least as fast as an exponential and at most as fast as a Gaussian distribution. This allows us to provide a central limit theorem for the associated ergodic averages. When the target has tails thinner than a Gaussian distribution, we propose an original modification of this scheme that is geometrically ergodic. For thick-tailed target distributions, such as $t$-distributions, we extend the idea pioneered in \cite{J_G_12} in a random walk Metropolis context. We apply a change of variable to obtain a transformed target satisfying the tail conditions for geometric ergodicity. By sampling the transformed target using the Bouncy Particle Sampler and mapping back the Markov process to the original parameterization, we obtain a geometrically ergodic algorithm.
Parameter sensitivity and uncertainty analysis for a storm surge and wave model 2197

Development and simulation of synthetic hurricane tracks is a common methodology used to estimate hurricane hazards in the absence of empirical coastal surge and wave observations. Such methods typically rely on numerical models to translate stochastically generated hurricane wind and pressure forcing into coastal surge and wave estimates. The model output uncertainty associated with selection of appropriate model parameters must therefore be addressed. The computational overburden of probabilistic surge hazard estimates is exacerbated by the high dimensionality of numerical surge and wave models. We present a model parameter sensitivity analysis of the Delft3D model for the simulation of hazards posed by Hurricane Bob (1991) utilizing three theoretical wind distributions (NWS23, modified Rankine, and Holland). The sensitive model parameters (of 11 total considered) include wind drag, the depth-induced breaking γB, and the bottom roughness. Several parameters show no sensitivity (threshold depth, eddy viscosity, wave triad parameters, and depth-induced breaking αB) and can therefore be excluded to reduce the computational overburden of probabilistic surge hazard estimates. The sensitive model parameters also demonstrate a large number of interactions between parameters and a nonlinear model response. While model outputs showed sensitivity to several parameters, the ability of these parameters to act as tuning parameters for calibration is somewhat limited as proper model calibration is strongly reliant on accurate wind and pressure forcing data. A comparison of the model performance with forcings from the different wind models is also presented.
Spectroscopic survey of Kepler stars. I. HERMES/Mercator observations of A- and F-type stars

The Kepler space mission provided near-continuous and high-precision photometry of about 207 000 stars, which can be used for asteroseismology. However, for successful seismic modeling it is equally important to have accurate stellar physical parameters. Therefore, supplementary ground-based data are needed. We report the results of the analysis of high-resolution spectroscopic data of A- and F-type stars from the Kepler field, which were obtained with the HERMES spectrograph on the Mercator telescope. We determined spectral types, atmospheric parameters and chemical abundances for a sample of 117 stars. Hydrogen Balmer, Fe I, and Fe II lines were used to derive effective temperatures, surface gravities, and microturbulent velocities. We determined chemical abundances and projected rotational velocities using a spectrum synthesis technique. The atmospheric parameters obtained were compared with those from the Kepler Input Catalogue (KIC), confirming that the KIC effective temperatures are underestimated for A stars. Effective temperatures calculated by spectral energy distribution fitting are in good agreement with those determined from the spectral line analysis. The analysed sample comprises stars with approximately solar chemical abundances, as well as chemically peculiar stars of the Am, Ap, and λ Boo types. The distribution of the projected rotational velocity, vsini, is typical for A and F stars and ranges from 8 to about 280 km s −1 , with a mean of 134 km s −1 .
Protective effect of multiple administration of alpha – lipoic acid in lipopolysaccharide – induced model of inflammation in rats

Alpha-lipoic acid is well known antioxidant and has anti-inflammatory effects. It is used to treat diabetic neurovascular and metabolic problems. The aim of our study was to evaluate the anti-inflammatory effect of alphalipoic acid (ALA) in lipopolysaccharide (LPS) induced model of inflammation in rats. Forty male Wistar rats were divided in five groups (n=8): control, model group and three experimental groups treated with 30, 60 and 90 mg/kg alpha – lipoic acid for 14 days. The inflammation was induced by a single dose administration of LPS from Escherichia coli 055: B in dose 250 μg/kg i.p. After four hours the animals were sacrificed and blood samples were collected. The levels of two proinflammatory factors including tumor necrosis factoralpha (TNF-alpha) and interleukin -6 (IL-6) were measured by Enzyme-Linked Immuno Sorbent Assay (ELISA). Intraperitoneal administration of LPS increased the level of both TNFalpha and IL-6 in the model group compared to the control group. In all ALA treated groups the level of TNF-alpha was significantly decreased (p<0, 05) compared to the model group. In contrast, IL-6 release in the group treated with 30 mg/kg ALA was significantly (p<0, 05) higher than the model group. There was no significant reduction (p<0, 05) in the level of IL-6 in all experimental groups. Our present study demonstrates that chronic ALA administration significantly protects against lipopolysaccharide-induced inflammation in rats.
Testing Urbanization Economies in Manufacturing Industries: Urban Diversity or Urban Size?

Whether urbanization economies stem from urban diversity or urban scale is not clear in the literature. This paper uses the 2004 China manufacturing census data and tests simultaneously the effects of urban size and industrial diversity on firm productivity, controlling for localization economies and human capital externalities. We find that productivity increases with city size—but at a diminishing rate, and the city size effect becomes negative for cities with population over two million. Firms also benefit from industrial diversity, and the strength of such benefit increases with city size but decreases with firm size. The characteristics of agglomeration economies in a transition economy are also discussed.
FIRESTRUC - Integrating Advanced Three-dimensional Modelling Methodologies for Predicting Thermo-mechanical Behaviour of Steel and Composite Structures Subjected to Natural Fires

A hierarchy of coupling strategies for integrating advanced three-dimensional modelling methodologies for prediction of the thermo-mechanical response of structures in fire has been developed and systematically assessed. The methods have been implemented to link various fire and structural code pairs and a common file format has been established for one-way coupling, facilitating addition of further codes in future. Methodologies based on one-way coupling, with information passing from fire to solid-phase code, have an advantage of flexibility, particularly where omission of structural components from the fire model can be justified, i.e. where there is only a minor influence on the overall gas temperatures and radiative exchange. Where structural components markedly affect the flowfield there is no alternative to including them in the fire simulation, though geometrically simplified representations, using adiabatic solids, may be sufficient. Two-way coupling should be considered when there is a more significant interaction of fire and structure, or when more accurate analysis is required and greater computational costs can be sustained.
Insight into volatile behavior at Nyamuragira volcano (D.R. Congo, Africa) through olivine‐hosted melt inclusions

We present new olivine‐hosted melt inclusion volatile (H2O, CO2, S, Cl, F) and major element data from five historic eruptions of Nyamuragira volcano (1912, 1938, 1948, 1986, 2006). Host‐olivine Mg#'s range from 71 to 84, with the exception of the 1912 sample (Mg# = 90). Inclusion compositions extend from alkali basalts to basanite‐tephrites. Our results indicate inclusion entrapment over depths ranging from 3 to 5 km, which agree with independent estimates of magma storage depths (3–7 km) based on geophysical methods. Melt compositions derived from the 1986 and 2006 Nyamuragira tephra samples best represent pre‐eruptive volatile compositions because these samples contain naturally glassy inclusions that underwent less post‐entrapment modification than crystallized inclusions. Volatile concentrations of the 1986 and 2006 samples are as follows: H2O ranged from 0.6 to 1.4 wt %, CO2 from 350 to 1900 ppm, S from 1300 to 2400 ppm, Cl from 720 to 990 ppm, and F from 1500 to 2200 ppm. Based on FeOT and S data, we suggest that Nyamuragira magmas have higher fO2 (>NNO) than MORB. We estimate the total amount of sulfur dioxide (SO2) released from the 1986 (0.04 Mt) and 2006 (0.06 Mt) Nyamuragira eruptions using the petrologic method, whereby S contents in melt inclusions are scaled to erupted lava volumes. These amounts are significantly less than satellite‐based SO2 emissions for the same eruptions (1986 = ∼1 Mt; 2006 = ∼2 Mt). Potential explanations for this observation are: (1) accumulation of a vapor phase within the magmatic system that is only released during eruptions, and/or (2) syn‐eruptive gas release from unerupted magma.
Factors controlling sulfur concentrations in volcanic apatite

Apatite crystals from two types of samples were analyzed by electron microprobe for 15 major and trace elements: (1) apatite in HrOand S-saturated experimental charges of the 1982 El Chich6n trachyandesite and (2) apatite in volcanic rocks erupted from 20 volcanoes. The SO. contents of the experimental apatite increase with increasing oxygen fugacity (.fo,), from <0.04 wt%o in reduced charges buffered by fayalite-magnetite-quartz (FMQ), to 1.0-2.6 wtTo in oxidized charges buffered by manganosite-hausmanite (MNH) or magnetite-hematite (MTH). The SO. contents of MNHand MTH-buffered apatite also generally increase with increasing pressure from 2 to 4 kbar and decreasing temperature from 950 to 800 "C. The partition coefficient for SO. between apatite and oxidized melt increases with decreasing temperature but appears to be independent of pressure. Apatites in volcanic rocks show a wide range of SO. contents (<0.04 to 0.63 wtVo). Our sample set includes one group known to contain primary anhydrite and a second group inferred to have been free of primary anhydrite. No systematic differences in apatite S contents are observed between these two groups. Our study was initiated to define the factors controlling S contents in apatite and to evaluate the hypothesis that high S contents in apatite could be characteristic of S-rich anhydrite-bearing magmas such as those erupted from El Chich6n in 1982 and Pinatubo in 1991. This hypothesis is shown to be invalid, probably chiefly a consequence of the slow intra-crystalline diffusion that limits re-equilibration between early formed apatite and the evolving silicate melt. Contributing factors include early crystallization of most apatite over a relatively small temperature interval, common late-stage magmatic enrichment of S, progressive oxidation during magmatic evolution, and strong controls on S contents in apatite exerted by f". , temperature, and pressure.
Education Inequality, Economic Growth, and Income Inequality: Evidence from Indonesia, 1996-2005

Abstract This paper examines the determinants of economic growth, income inequality, and their relationship in the context of education inequality. The econometric results from a cross-section analysis of 23 provinces in the period of 1996-2005 indicate that a higher level of human capital and the relative dispersion of human capital have a disequalizing effect on the income distribution. It also confirms that economic growth has strongly and significantly equalizing effect on the income distribution, supporting the complementarity relationship between equity and growth. In addition, human capital investment contributes significantly to the growth of economy. Therefore, in a bid to achieve egalitarian society with a more equitable distribution of income, economic policies should be more targeted at not only more education but also equal access to education.
The development of tropisetron in its clinical perspective.

Summary This review discusses the development of tropisetron as an antiemetic drug with the patient in mind. The original aims of the programme and the progress achieved towards them to date are described. The efficacy and safety data from two dose-ranging studies and four comparative-treatment studies with tropisetron were combined in a prospectively planned meta-analysis of 799 patients. An integrated safety summary is presented which includes all patients from the six studies. Tropisetron at a dose of 5 mg once daily is an effective and well-tolerated, single-agent, antiemetic treatment, which can be given without special precautions to all patients receiving highly emetogenic chemotherapy. In comparison with meto-clopramide, tropisetron is more effective in the prevention of nausea and vomiting. When compared with the most potentcocktail treatments currently in use (containing high-dose metoclopramide, dexamethasone and lorazepam or diphen-hydramine), tropisetron is equally effective in the prevention of acute vomiting and somewhat less effective in the prevention of nausea. Overall, tropisetron is an effective and well-tolerated antiemetic treatment that is simple to administer, comparing well with currently available antiemetic cocktails. Tropisetron remains effective for the prevention of nausea and vomiting during multiple chemotherapy courses. The simple dosing schedule (5 mg i.v. day 1; one 5 mg capsule daily, days 2–6) makes tropisetron ideal for both inpatient or outpatient use.
Identification of Drug-Type and Fiber-Type of Hemp ( Cannabis sativa L . ) by Multiplex PCR

The multiplex PCR method for identification of drug type and fiber-type of 100 hemp samples was developed and evaluated. Two loci multiplex PCR molecular markers were simultaneously amplified and detected. The first locus, 700 bp-Cannabis marker, was designed to be Cannabis genus specific, while the second locus, 1.2 kb-drug-type marker, was specific to THCA synthase gene of drug-type plants. The results showed that Cannabis marker was detected in all samples, but drug-type marker was found in only 63 samples. Therefore, by this method, 37 plants could be identified to be fiber-type, whereas the other plants were considered as drug-type. The relative accuracy between the developed multiplex PCR method and reference method (based on CBD/THC ratio) was 93%.
Thermodynamics of Duplication Thresholds in Synthetic Protocell Systems

Understanding the thermodynamics of the duplication process is a fundamental step towards a comprehensive physical theory of biological systems. However, the immense complexity of real cells obscures the fundamental tensions between energy gradients and entropic contributions that underlie duplication. The study of synthetic, feasible systems reproducing part of the key ingredients of living entities but overcoming major sources of biological complexity is of great relevance to deepen the comprehension of the fundamental thermodynamic processes underlying life and its prevalence. In this paper an abstract—yet realistic—synthetic system made of small synthetic protocell aggregates is studied in detail. A fundamental relation between free energy and entropic gradients is derived for a general, non-equilibrium scenario, setting the thermodynamic conditions for the occurrence and prevalence of duplication phenomena. This relation sets explicitly how the energy gradients invested in creating and maintaining structural—and eventually, functional—elements of the system must always compensate the entropic gradients, whose contributions come from changes in the translational, configurational, and macrostate entropies, as well as from dissipation due to irreversible transitions. Work/energy relations are also derived, defining lower bounds on the energy required for the duplication event to take place. A specific example including real ternary emulsions is provided in order to grasp the orders of magnitude involved in the problem. It is found that the minimal work invested over the system to trigger a duplication event is around ~10−13J, which results, in the case of duplication of all the vesicles contained in a liter of emulsion, in an amount of energy around ~1kJ. Without aiming to describe a truly biological process of duplication, this theoretical contribution seeks to explicitly define and identify the key actors that participate in it.
Media freedom and responsibility in South Korea: The perceptions of journalists and politicians during the Roh Moo-hyun presidency

This article analyses the perceptions of media freedom and responsibility by journalists and politicians in South Korea during the Presidency of Roh Moo-huyn (2003–2008). It draws on in-depth interviews with 10 journalists and 10 politicians with different political affiliations and interests. Findings suggest that both groups had positive appraisals of the country’s media democratisation. For them, the media could function as a watchdog on political power without having to fear direct political reprisals for doing so. However, the political press remained partially shackled to specific legacies and economic conditions. The most pressing example is the way the paternal power of conservative media owners challenged the editorial independence of journalists. While the Internet media offered some hope to rebalance the power relationship between the conservative and progressive forces, the sensational and hyper-adversarial media motivated by market and political competition emerged as more worrying concerns for the consolidation of democratic political communication in post-transition South Korea. Setbacks in press freedom since 2008 have undermined some of the positive evaluations of the political communication in South Korea, suggesting that the democratic transition in this country resembles ‘a circle rather a straight line’.
Assessment of net community production and calcification of a coral reef using a boundary layer approach

Coral reefs are threatened worldwide, and there is a need to develop new approaches to monitor reef health under natural conditions. Because simultaneous measurements of net community production (NCP) and net community calcification (NCC) are used as important indicators of reef health, tools are needed to assess them in situ. Here we present the Benthic Ecosystem and Acidification Measurement System (BEAMS) to provide the first fully autonomous approach capable of sustained, simultaneous measurements of reef NCP and NCC under undisturbed, natural conditions on time scales ranging from tens of minutes to weeks. BEAMS combines the chemical and velocity gradient in the benthic boundary layer to quantify flux from the benthos for a variety of parameters to measure NCP and NCC. Here BEAMS was used to measure these rates from two different sites with different benthic communities on the western reef terrace at Palmyra Atoll for 2 weeks in September 2014. Measurements were made every ∼15 min. The trends in metabolic rates were consistent with the benthic communities between the two sites with one dominated by fleshy organisms and the other dominated by calcifiers (degraded and healthy reefs, respectively). This demonstrates the potential utility of BEAMS as a reef health monitoring tool. NCP and NCC were tightly coupled on time scales of minutes to days, and light was the primary driver for the variability of daily integrated metabolic rates. No correlation between CO2 levels and daily integrated NCC was observed, indicating that NCC at these sites were not significantly affected by CO2.
Hind-Limb Length Plasticity in Anolis carolinensis

Abstract The positive relationship between hind-limb length and perch diameter is well established in Anolis lizards, both among populations of some species and among species. Interspecific comparisons indicate that longer legs confer an advantage for increased running speed on broad substrates, whereas shorter limbs provide greater maneuverability on narrow surfaces. In this light, phenotypic plasticity for hind-limb length previously detected in Anolis sagrei may be adaptive because hatchlings exposed to only broad substrates developed relatively longer hind limbs for their body size compared to hatchlings exposed to only narrow substrates. We tested the generality of hind-limb length plasticity in Anolis by conducting a hatchling growth experiment on Anolis carolinensis, a distant relative of A. sagrei and a different type of habitat specialist. Similar to A. sagrei, A. carolinensis grown in cages with different sized perches showed hind-limb length plasticity, but the magnitude of difference between treatments and sexes was less for A. carolinensis than for A. sagrei. This finding suggests either hind-limb plasticity is widespread within the genus Anolis or that it has evolved independently at least twice.
Decline in locomotor fu nctions over time in HIV-infected patients

Results: At baseline (354 patients, 90% on antiretroviral treatment), median 5STS time was 9.8 s and 6MWD 549 m. Poorer performances were associated with falls, reported by 12% of 178 patients at follow-up. Estimated mean deterioration was þ0. 24 s/year (P<10 ) for 5STS time and 11 m/year (P<10 ) for 6MWD. In multivariable analyses, older age was associated with worse baseline 5STS time (þ0.47 s/10-year age increase; P1⁄410 ), but not with further deterioration. Deterioration was greater in prior injecting drug users compared to others (difference in slope þ0.62 s/year; P1⁄40.04). 5STS time at any time point was worse in patients with history of cerebral AIDS conditions (þ2.47 s; P<10 ) and diabetes (þ0.95 s; P1⁄40.02) than in others. No significant associations were found for antiretroviral treatment type, viral load or CD4þ cell count.