Miracle-dz/UniFAR-FTUs huggingface dataset:
Climate change feedback on the future oceanic CO2 uptake

Output from a coupled atmosphere–ocean model forced by the IS92a greenhouse gas scenario was used to investigate the feedback between climate change and the oceanic uptake of CO 2 . To improve the climate simulation, we used Gent and co-workers eddy parameterization in the ocean and a prognostic equation for export production from the upper ocean. For the period of 1850 to 2100, the change in the oceanic uptake of CO 2 with climate was separated into 3 feedbacks. (i) Climate change warmed the sea-surface temperature which increased the partial pressure of CO 2 in the surface ocean and reduced the accumulated ocean uptake by 48 Gt C. (ii) Climate change reduced meridional overturning and convective mixing and increased density stratification in high latitudes which slowed the transport of anthropogenic CO 2 into the ocean interior and reduced the cumulative ocean CO 2 uptake by 41 Gt C. (iii) Climate change altered “natural” cycling of carbon in the ocean which increased the cumulative ocean CO 2 uptake by 33 Gt C. The change in natural carbon cycling with climate change was dominated by 2 opposing factors. First, the supply of nutrients to the upper ocean decreased which reduced the export of organic matter (by 15% by year 2100) and produced a net CO 2 flux out of the ocean. However, associated with the reduced nutrient supply was the reduction in the supply of dissolved inorganic carbon to the upper ocean, which produced net CO 2 flux into the ocean. For our model, the latter effect dominated. By the year 2100, the combinations of these 3 climate change feedbacks resulted in a decrease in the cumulative oceanic CO 2 uptake of 56 Gt C or 14% of the 402 Gt C of oceanic CO 2 uptake predicted by a run with no climate change. Our total reduction in oceanic CO 2 uptake with climate change for the 1850 to 2100 period was similar to the 58 Gt C reduction in oceanic CO 2 uptake predicted by Sarmiento and Le Quere. However, our consistency with this previous estimate is misleading. By including the Gent and co-workers eddy parameterization in the ocean, we reduced the positive feedback between climate change and the oceanic uptake of CO 2 from 169 to 89 Gt C (80 Gt C change). This reduction reflects a decrease in both sea surface warming and anthropogenic forcing feedbacks. By using a prognostic parameterization of export production, we reduced the negative feedback response of the natural carbon cycle to climate change from 111 to 33 Gt C (78 Gt C). These 2 large offsetting changes in the ocean response to climate change produced only a net change of 2 Gt C. This resulted in a net reduction in oceanic uptake of 2 Gt C from the previous study. DOI: 10.1034/j.1600-0889.1999. t01-1-00012.x
From short-range barotropic modelling to extended-range global weather prediction: a 40-year perspective

At the end of the 20th century, we can look back on a spectacular development of numerical weather prediction, which has, practically uninterrupted, been going on since the middle of the century. High-resolution predictions for more than a week ahead for any part of the globe are now routinely produced and anyone with an Internet connection can access many of these forecasts for anywhere in the world. Extended predictions for several seasons ahead are also being done — the latest El Nino event in 1997/1998 is an example of such a successful prediction. The great achievement is due to a number of factors including the progress in computational technology and the establishment of global observing systems, combined with a systematic research program with an overall strategy towards building comprehensive prediction systems for climate and weather. In this article, I will discuss the different evolutionary steps in this development and the way new scientific ideas have contributed to efficiently explore the computing power and in using observations from new types of observing systems. Weather prediction is not an exact science due to unavoidable errors in initial data and in the models. To quantify the reliability of a forecast is therefore essential and probably more so the longer the forecasts are. Ensemble prediction is thus a new and important concept in weather and climate prediction, which I believe will become a routine aspect of weather prediction in the future. The limit between weather and climate prediction is becoming more and more diffuse and in the final part of this article I will outline the way I think development may proceed in the future. DOI: 10.1034/j.1600-0889.1999. 00003.x
MATURIDADE DE COMPOSTO DE LIXO URBANO

O processo de compostagem de lixo pre-digerido, produzido na Usina de Compostagem de Vila Leopoldina do municipio de Sao Paulo acondicionado em cestos telados, foi avaliado atraves das variaveis: pH, P total, temperatura, producao de CO2, materia orgânica e N total durante um periodo de 52 dias. O lixo foi de 1 m de diâmetro por 1,5 m de altura, revolvido e umedecido semanalmente. Ao final do periodo estudado, as variaveis producao de CO2, temperatura, materia orgânica total e relacao C/N apresentaram seus valores reduzidos, enquanto o pH e os teores de N e de P total atingiram seus valores maximos. Os dados permitiram concluir que o periodo avaliado foi suficiente para a maturacao do composto de lixo.
Patient Welfare and Patient Compliance -- An Empirical Framework for Measuring the Benefits from Pharmaceutical Innovation

The main goal of this paper is to develop an empirical framework for evaluating the patient welfare benefits arising from pharmaceutical innovation. Extending previous studies of the welfare benefits from innovation (Trajtenberg, 1990; Hausman, 1996), this paper unpacks the separate choices made by physicians and patients in pharmaceutical decisionmaking and develops an estimable econometric model which reflects these choices. Our proposed estimator for patient welfare depends on (a) whether patients comply with the prescriptions they receive from physicians and (b) the motives of physicians in their prescription behavior. By focusing on compliance behavior, the proposed welfare measure reflects a specific economic choice made by patients. We review evidence that the rate of noncompliance ranges up to 70%, suggesting an important gulf between physician prescription behavior and realized patient welfare. Since physicians act as imperfect but interested agents for their patients, the welfare analysis based on compliance must account for the nonrandom selection of patients into drugs by their physicians. The key contribution of this paper resides in integrating the choices made by both physicians and patients into a unified theoretical framework and suggesting how the parameters of such a model can be estimated from data.
Ökobilanzierung von Baustoffen am Beispiel des Recyclings von Konstruktionsleichtbeton

Anhand der experimentellen Untersuchungen konnte gezeigt werden, dass unter Einhaltung bestimmter Anforderungen eine hochwertige Verwertung von Konstruktionsleichtbeton im Sinne des Kreislaufwirtschafts- und Abfallgesetz moglich ist. Leichtbeton mit Zuschlagen aus Rezyklat besitzt unter Einhaltung der diskutierten Randbedingungen eine genugend hohe Festigkeit sowie eine ausreichende Verarbeitbarkeit. Das Verformungs-verhalten der betrachteten Betone liegt bis auf die Kriechverformungen im Bereich vergleichbarer primarer Leichtbetone. Die Verwendung von Rezyklat im Feinbereich fuhrt zu einer erheblichen Verschlechterung samtlicher Betoneigenschaften. Im Rahmen unterschiedlicher Anwendungsszenarien fur sekundaren Leichtbeton, wurden die okologischen Auswirkungen der Recyclingmasnahme analysiert. Die Ergebnisse zeigen deutlich, dass ein Recycling von Konstruktionsleichtbeton zu einer Entlastung der Umwelt beitragt und einen Beitrag zu einer nachhaltigen Wirtschaftsweise leistet. Es konnten eindeutige Einsparpotentiale in Bezug auf den Ressourcenverbrauch und die Deponieraum-inanspruchnahme identifiziert werden. Fur den Parameter Energieverbrauch konnten in Summe weder positive noch negative Effekte verbucht werden. Die Voraussetzung fur die okologischen Vorteile des sekundaren Leichtbetons ist eine Anwendung entsprechend dessen inharenten Eigenschaften. In Abhangigkeit der lokalen Randbedingungen konnten Einsparpotentiale okonomischer Art aufgezeigt werden. Verallgemeinernde Aussagen lassen sich aufgrund der grosen lokalen Schwankungsbreiten der Baustoff- und Entsorgungskosten nicht formulieren. The experiments show that the recycling of structural lightweight aggregate (LWA) concrete is possible. Considering the discussed boundary conditions LWA concrete with recycled aggregates has a sufficient compressive strength and workability. Except for the creep strain the deformation behaviour is in the range of primary concretes. The use of recycled aggregates in the fines leads to a considerable deterioration of all concrete properties. Within different scenarios the ecological effects due to the recycling process are analysed. The results show that the recycling of LWA concrete contributes to a relief of the environment and a sustainable development. Unequivocal reduction potentials concerning resource depletion and necessary disposal space can be identified. The analysis of the energy consumption shows neither positive nor negative effects. To achieve the ecological advantages of secondary LWA concrete an application according to its inherent properties is necessary. In relation to the local boundary conditions economical reduction potentials can be demonstrated. Due to substantial local differences in the price range generalised statements are not possible.
Two-Color Pump−Probe Spectroscopies of Two- and Three-Level Systems: 2-Dimensional Line Shapes and Solvation Dynamics

For both two- and three-level systems, theoretical descriptions of two-color transient grating, transient dichroism, and transient birefringence spectroscopies were presented. The two-dimensional line shapes of these pump−probe spectra were found to be strongly dependent on the solvation dynamics. The two-dimensional contours of the transient birefringence signal of a two-level system are not vertically directed in the short time region. The inverse slope of the tangential line of the two-dimensional contours was found to be linearly proportional to the solvation correlation function. The two-dimensional transient grating and dichroism spectra are shown to directly provide quantitative information on the reorganization energy and spectral diffusion dynamics. For a three-level system that is a model for an anharmonic oscillator, the peak separation observed in a two-dimensional transient dichroism spectrum was found to be determined by both fluctuation amplitude of the transition frequency and spectral ban.
Geometry-Dependent Plasmonic Tunability and Photothermal Characteristics of Multibranched Gold Nanoantennas

Plasmon resonances of anisotropic multibranched nanostructures are governed by their geometry, allowing morphology-directed selective manipulation of the optical properties. In this work, we have synthesized multibranched gold nanoantennas (MGNs) of variable geometry by a one-step seedless approach using 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) as a capping and reducing agent. This approach enables us to modulate the MGNs’ geometry by controlling three different parameters: concentration of HEPES, concentration of Au3+, and pH of HEPES buffer. By altering the MGNs morphology with minimal increase in the overall dimensions, the plasmon resonances were tuned from the visible to the near-infrared. The MGNs plasmon resonances demonstrated a nonintuitive blue-shift when pH > pKa of HEPES which we attributed to emergence of charge transfer oscillations formed when MGNs cluster to dimers and trimers. Further, due to the presence of multiple sharp protrusions, the MGNs demonstrated a refractive .
Personal goals and emotional well-being : The moderating role of motive dispositions

Two studies examined the importance of motive dispositions in determining the extent to which the pursuit of personal goals accounts for interindividual differences in emotional well-being. Within the domains of agency and communion, motives were assessed with a picture-story test, whereas self-report measures were used to assess goal attributes. Study 1 found that progress toward motive-congruent goals, in contrast to progress toward motive-incongruent goals, accounted for students' daily experiences of emotional well-being. Study 2 found that the combination of high commitment to and high attainability of motive-congruent goals predicted an increase in students' emotional well-being over 1 semester. In contrast, high commitment to motive-incongruent goals predicted a decline in emotional well-being. Results are discussed with reference to a 2-system approach to human motivation.
Self‐structure factor of hard‐sphere gases for arbitrary ratio of bath to test particle masses

The self‐structure factor Ss(k,ω) for test particles of mass different from the mass of the bath particles is considered. For a dilute hard‐sphere gas the self‐Enskog kinetic equation is solved to high accuracy for Ss(k,ω) by the Gross–Jackson (GJ) modeling procedure. When the variables in the self‐Enskog kinetic equation are scaled to customary dimensionless parameters, the peak height and width of Ss(k,ω) vary only about 10% within a large mass ratio range. The GJ solution approaches smoothly the Ss(k,ω) of the Fokker–Planck equation (small bath particle mass). On the other hand, large variation of Ss(k,ω) occurs near the Lorentz limit (large bath particle mass). The optimized Bhatnagar–Gross–Krook (BGK) model of Groome, Dufty, and Lindenfeld shows better quantitative agreement than the usual BGK model but does not predict some qualitative features. Hydrodynamic limits are also discussed in some detail. It is demonstrated that the hydrodynamic limit of Ss(k,ω) for the Lorentz equation does not have the .
Application and New Developments in Fluorescence Spectroscopic Techniques in Studying Individual Molecules

Abstract Techniques based on fluorescence have played a variety of roles in chemistry, physics, spectroscopy, medicine, nanotechnology, and biotechnology due to their high selectivity, sensitivity, simplicity, and fastness in spectroscopic and imaging measurements. While detecting fluorescence from individual molecules by fluorescence‐based techniques, poor signal, limited lifespan of fluorophores, trade‐off between time resolution, and the level of detail of information were few major concerns. Ultrasensitive detectors permit the combination of the high time resolution of single photon counting devices with the large field of view and spectral resolution allowed by two‐dimensional detectors. Photobleaching and on‐off blinking of fluorophores can be improved dramatically by chemical modifications or changing the reagents. New ways of controlling local fields such as optic, electric, magnetic, chemical, or biochemical environments take advantage of the noninvasiveness and high temporal and spatial resolution of single‐molecule fluorescence (SMF) to get a direct feedback of events at the nanometer scale in various domains of research. Some of the applications and new developments in fluorescence spectroscopic techniques in detecting, investigating, and/or manipulating individual molecules have been discussed.
A Quantum Mechanical/Molecular Mechanical Approach to Relaxation Dynamics: Calculation of the Optical Properties of Solvated Bacteriochlorophyll-a

We have applied both classical and mixed quantum mechanical/molecular mechanical (QM/MM) techniques to the calculation of electronic−vibrational coupling. In order to assess these approaches, we compare results to the steady state absorption and emission spectra of solvated bacteriochlorophyll-a (BChl-a) at room temperature. We find that the method chosen for the calculation of the S0−S1 energy gap significantly affects the calculated spectra. Mixed QM/MM approaches perform substantially better than the purely classical approach, and where an ab initio method is used for calculating the S0−S1 energy gap, the predicted Stokes shift (related to the reorganization energy), and the spectral absorption width are within 5% of the experimental values. We find that the decay of the transition energy correlation function occurs largely over two time scales. Most of the decorrelation occurs in less than 5 fs. This is less than the time taken for the process of photon absorption, indicating that the optical spectrum.
The extinction problem in an opposed jet diffusion flame with competitive reactions

The problem of ignition and extinction for the flow of a compressible fluid with competitive/chain reactions has been considered in the present paper, A typical system of hydrogen-carbon monoxide fuel mixture forming one end of the opposed jet and air the other end has been considered for the numerical study. An efficient numerical procedure has been developed for the solution of two coupled and non-linear second order differential equations describing the chemical kinetics. The present study reveals that the mass flow rates at extinction (Apparent Flame Strength) for the mixture can be obtained by using a simple mixing rule similar to those used in theories of flame propagation. The results of maximum volumetric heal release rates have been obtained and compared with the experimental results of Bittker and Brokaw.
Development and optimization of a new method for direct extraction of SARS-CoV-2 RNA from municipal wastewater using magnetic beads

The use of magnetic beads in the extraction of nucleic acids from wastewater is presented as an approach to simplify extraction techniques for the detection of SARS-CoV-2 viral fragments in wastewater. In particular, this paper describes the development and optimization of a direct method for extracting SARS-CoV-2 RNA from municipal wastewater using magnetic beads. The recovery efficiency of the method using Accuplex SARS-CoV-2 Positive Reference Material (ASCV-2) was examined. Method factors assessed were sample volume, concentration of magnetic bead mix, elution temperature, and water matrix (deionized (DI) water and wastewater). The combination of optimized method parameters that resulted in the highest RNA recovery in both DI water (26.0 {+/-} 0.8%) and wastewater (11.8 {+/-} 1.4%) was a sample volume of 1.0 mL, a magnetic beads concentration of 100 L mL-1 sample, and an elution temperature of 60 {degrees}C. The performance of this optimized method was further assessed in recovery experiments using wastewater samples spiked at 1.8x106 and 1.8x104 gene copies L-1 (GU L-1) with Gamma Inactivated SARS-COV-2 (GI-SCV-2) and 1.0x106 and 1.0x104 infectious units L-1 of Human Coronavirus 229E (HCV 229E) as viral surrogates. Recoveries of 86.1 and 4.6% were achieved for wastewater samples spiked with GI-SCV-2 at low and high concentrations, respectively. In assessing the effects of wastewater pre-filtration and addition of DL-Dithiothreitol (DTT, used to inactivate RNases that may degrade RNA) on recovery efficiency of ASCV-2, the magnetic bead-based extraction protocol performed optimally with unfiltered wastewater without DTT (recovery = 17.4 {+/-} 0.4%). The method limit of detection (MLOD) for ASCV-2 recovered from pre-filtered wastewater was determined to be 4.6x104 GU L-1 (95% degree of confidence). Using this optimized magnetic bead-based extraction protocol, the presence of SARS-CoV-2 RNA was verified in wastewater collected from sewershed locations in Atlantic Canada. This emerging RNA extraction method is direct, rapid, and does not require the use of specialized equipment, thus offering advantageous application for laboratories with limited resources. As such, this method is an indispensable tool in the monitoring of wastewater for SARS-CoV-2 to potentially understand COVID-19 infection occurrence within communities and inform public health leaders.
Taking Time Seriously: Time-Series-Cross-Section Analysis with a Binary Dependent Variable

Researchers typically analyze time-series-cross-section data with a binary dependent variable (BTSCS) using ordinary logit or probit. However, BTSCS observations are likely to violate the independence assumption of the ordinary logit or probit statistical model. It is well known that if the observations are temporally related that the results of an ordinary logit or probit analysis may be misleading. In this paper, we provide a simple diagnostic for temporal dependence and a simple remedy. Our remedy is based on the idea that BTSCS data are identical to grouped duration data. This remedy does not require the BTSCS analyst to acquire any further methodological skills, and it can be easily implemented in any standard statistical software package. While our approach is suitable for any type of BTSCS data, we provide examples and applications from the field of International Relations, where BTSCS data are frequently used. We use our methodology to reassess Oneal and Russett's (1997) findings regarding the relationship between economic interdependence, democracy, and peace. Our analyses show that (1) their finding that economic interdependence is associated with peace is an artifact of their failure to account for temporal dependence yet (2) their finding that democracy inhibits conflict is upheld even taking duration dependence into account.
The empty number line in Dutch second grades: Realistic versus gradual program design

In this study we compare 2 experimental programs for teaching mental addition and subtraction in the Dutch 2nd grade (N = 275). The goal of both programs is greater flexibility in mental arithmetic through use of the empty number line as a new mental model. The programs differ in instructional design to enable comparison of 2 contrasting instructional concepts. The Realistic Program Design (RPD) stimulates flexible use of solution procedures from the beginning by using realistic context problems. The Gradual Program Design (GPD) has as its purpose a gradual increase of knowledge through initial emphasis on procedural computation followed by flexible problem solving. We found that whereas RPD pupils showed a more varied use of solution procedures than the GPD pupils, this variation did not influence the procedural competence of the pupils. The empty number line appears to be a very powerful model for the learning of addition and subtraction up to 100.
Computer modelling of the energies and vibrational properties of hydroxyl groups in α- and β-Mg2SiO4

The structure, formation energies and infrared (IR) active vibrational modes of hydrous defects in the iron free end members of two of the most important minerals of the Earth's mantle, alpha- and beta-Mg2SiO4, are studied by atomic-scale computational modelling in order to identify the hydrogen incorporation mechanism observed in experiment. Two computational methods are used; calculations based on inter-atomic potentials provide information on all defect configuration in the two minerals, and a combined quantum mechanical/molecular mechanics embedded cluster method is used to validate selected results. For forsterite (alpha-Mg2SiO4), the results suggest that IR bands at low frequencies (wavenumbers 3000-3250 cm(-1)) are related to protons populating M1 vacancies. Despite the unfavourable creation of silicon vacancies, calculated medium- and high-frequency IR bands are linked to protons occupying vacant Si sites. For iron-free wadsleyite (beta-Mg2SiO4) IR frequencies for hydrated cation vacancies have been calculated for the first time. The main doublet at 3360-3326 cm(-1) is attributed to two OH groups located in a vacant M3 site. IR bands at higher wavenumber such as the anisotropic doublet at 3615-3580 cm(-1) appear to be linked to OH in vacant Si sites. Low accuracy on the calculated frequencies does not permit a strict and rigorous assignment of each individual IR band observed in hydrous forsterite and wadsleyite. However, it does allow the identification of the most favourable site for protonation and provides a useful approximation to the corresponding IR stretching frequencies for a given hydrogen incorporation mechanisms in these nominally anhydrous silicate structures.