374 research outputs found
ULYSSES, universal LeptogeneSiS equation solver: Version 2
ULYSSES is a Python package that calculates the baryon asymmetry produced from leptogenesis in the context of a type-I seesaw mechanism. In this release, the new features include code which solves the Boltzmann equations for low-scale leptogenesis; the complete Boltzmann equations for thermal leptogenesis applying proper quantum statistics without assuming kinetic equilibrium of the right-handed neutrinos; and, primordial black hole-induced leptogenesis. ULYSSES version 2 has the added functionality of a pre-provided script for a two-dimensional grid scan of the parameter space. As before, the emphasis of the code is on user flexibility, rapid evaluation and is publicly available at https://github.com/earlyuniverse/ulysses
A Method of Calculating the Kamlet-Abboud-Taft Solvatochromic Parameters Using COSMO-RS
There is demand for safer and bio-based solvents, brought on by legislation and sustainability objectives. The prediction of physical properties is highly desirable to help design new molecules. Here we present an in silico approach to obtain calculated Kamlet-Abboud-Taft solvatochromic parameters using virtual experiments. The tautomerisation equilibrium of methyl acetoacetate and dimedone was calculated in different solvents with COSMO-RS theory and converted into estimates of solvent dipolarity and hydrogen bond accepting ability, respectively. Hydrogen bond donating ability was calculated as a function of the electron deficient surface area on protic solvents. These polarity descriptors correlate with rate constants and equilibria, and so ability of calculated Kamlet-Abboud-Taft solvatochromic parameters to recreate experimental free energy relationships was tested with sixteen case studies taken from the literature. The accuracy of the calculated parameters was also satisfactory for solvent selection, as demonstrated with a 1,4-addition reaction and a multicomponent heterocycle synthesis
A Method of Calculating the Kamlet-Abboud-Taft Solvatochromic Parameters Using COSMO-RS
There is demand for safer and bio-based solvents, brought on by legislation and sustainability objectives. The prediction of physical properties is highly desirable to help design new molecules. Here we present an in silico approach to obtain calculated Kamlet-Abboud-Taft solvatochromic parameters using virtual experiments. The tautomerisation equilibrium of methyl acetoacetate and dimedone was calculated in different solvents with COSMO-RS theory and converted into estimates of solvent dipolarity and hydrogen bond accepting ability, respectively. Hydrogen bond donating ability was calculated as a function of the electron deficient surface area on protic solvents. These polarity descriptors correlate with rate constants and equilibria, and so ability of calculated Kamlet-Abboud-Taft solvatochromic parameters to recreate experimental free energy relationships was tested with sixteen case studies taken from the literature. The accuracy of the calculated parameters was also satisfactory for solvent selection, as demonstrated with a 1,4-addition reaction and a multicomponent heterocycle synthesis
Ready-to-eat raspberries: qualitative and nutraceutical characteristics during shelf-life
Raspberry (Rubus idaeus L.) fruits are characterised by a high content of nutraceuticals, such as vitamin C, polyphenols and anthocyanins, which are considered antioxidant compounds. The ready-to-eat raspberry product could increase the market opportunities and the consumption of this high-value-added fruit. The aim of this research was to evaluate the evolution of qualitative and nutraceutical characteristics during the shelf-life of ready-to-eat raspberries. Samples from three raspberry cultivars (âGlen Magnaâ, âTulameenâ and âHeritageâ) were sanitized and then packed in polypropylene bowls. The analyses were carried out at harvest (raw material) and after 3, 6 and 8 days of storage at 3°C. The study indicated the loss of fruit firmness as the most problematic aspect, followed by a less important change in hue values from light red to dark red. The modifications of chemical-physical parameters (soluble solids content, pH and titratable acidity) during shelf-life did not compromise the product quality. Processing and cold storage affected only slightly the nutraceutical profile (scavenging activity, phenols and anthocyanin content), except for ascorbic acid, therefore, the ready-to-eat raspberries could be considered a good source of compounds with potential health benefits. Some handling difficulties were highlighted during processing due to the high fragility of fruit which caused a high percentage of waste
Online Monitoring of the Osiris Reactor with the Nucifer Neutrino Detector
Originally designed as a new nuclear reactor monitoring device, the Nucifer
detector has successfully detected its first neutrinos. We provide the second
shortest baseline measurement of the reactor neutrino flux. The detection of
electron antineutrinos emitted in the decay chains of the fission products,
combined with reactor core simulations, provides an new tool to assess both the
thermal power and the fissile content of the whole nuclear core and could be
used by the Inter- national Agency for Atomic Energy (IAEA) to enhance the
Safeguards of civil nuclear reactors. Deployed at only 7.2m away from the
compact Osiris research reactor core (70MW) operating at the Saclay research
centre of the French Alternative Energies and Atomic Energy Commission (CEA),
the experiment also exhibits a well-suited configuration to search for a new
short baseline oscillation. We report the first results of the Nucifer
experiment, describing the performances of the 0.85m3 detector remotely
operating at a shallow depth equivalent to 12m of water and under intense
background radiation conditions. Based on 145 (106) days of data with reactor
ON (OFF), leading to the detection of an estimated 40760 electron
antineutrinos, the mean number of detected antineutrinos is 281 +- 7(stat) +-
18(syst) electron antineutrinos/day, in agreement with the prediction 277(23)
electron antineutrinos/day. Due the the large background no conclusive results
on the existence of light sterile neutrinos could be derived, however. As a
first societal application we quantify how antineutrinos could be used for the
Plutonium Management and Disposition Agreement.Comment: 22 pages, 16 figures - Version
Liberalising Deployment of Internet of Things Devices and Services in Large Scale Environments
There is an ongoing enormous expansion of Internet of Things devices andservices in everyday life, notably in novel large scale urban environments called Smart Cities. There, availability and uses of Internet of Things by end users and businesses is mainly palpable subject to prior knowledge of the relevant providers and use of dedicated applications that are associated with them. This current reality can be largely ascribed to the property of ââverticalityââ of autonomous Internet of Things eco-systems in Smart Cities, where Internet of Things devices (e.g. sensor nodes) are connected over a communicationinfrastructure to service-cloud platforms that deliver and process data that isthen presented at the applications level. This paper explains possibilities for revolutionary changes needed towards liberalising deployment and visibility of IoT services and data associated with them. It advocates a conceptual approach termed ââhorizontal networking for Internet of Thingsââ facilitating a more open and generic presence of Internet of Things through the proposed Internet of Things identification meta-data. The vision is built on needed novel practical features in the current communication setups. The features comprise combinations of the opportunistic and near-match search and discovery model, Internet of Things identification meta-data also reflecting the physical and network-based dimensions of devicesâ locations, novel routing and data flow models emerging via Information-Centric Networking and changes required in the elements of the current telecommunicationinfrastructure and the Internet
Effectiveness of neonatal pulse oximetry screening for detection of critical congenital heart disease in daily clinical routineâresults from a prospective multicenter study
Pulse oximetry screening (POS) has been proposed as an effective, noninvasive, inexpensive tool allowing earlier diagnosis of critical congenital heart disease (cCHD). Our aim was to test the hypothesis that POS can reduce the diagnostic gap in cCHD in daily clinical routine in the setting of tertiary, secondary and primary care centres. We conducted a prospective multicenter trial in Saxony, Germany. POS was performed in healthy term and post-term newborns at the age of 24â72 h. If an oxygen saturation (SpO2) of â€95% was measured on lower extremities and confirmed after 1 h, complete clinical examination and echocardiography were performed. POS was defined as false-negative when a diagnosis of cCHD was made after POS in the participating hospitals/at our centre. From July 2006âJune 2008, 42,240 newborns from 34 institutions have been included. Seventy-two children were excluded due to prenatal diagnosis (nâ=â54) or clinical signs of cCHD (nâ=â18) before POS. Seven hundred ninety-five newborns did not receive POS, mainly due to early discharge after birth (nâ=â727; 91%). In 41,445 newborns, POS was performed. POS was true positive in 14, false positive in 40, true negative in 41,384 and false negative in four children (three had been excluded for violation of study protocol). Sensitivity, specificity, positive and negative predictive value were 77.78%, 99.90%, 25.93% and 99.99%, respectively. With POS as an adjunct to prenatal diagnosis, physical examination and clinical observation, the percentage of newborns with late diagnosis of cCHD was 4.4%. POS can substantially reduce the postnatal diagnostic gap in cCHD, and false-positive results leading to unnecessary examinations of healthy newborns are rare. POS should be implemented in routine postnatal care
Comprehensive screening and quantification of veterinary drugs in milk using UPLCâToF-MS
Ultra-performance liquid chromatography combined with time-of-flight mass spectrometry (UPLCâToF-MS) has been used for screening and quantification of more than 100 veterinary drugs in milk. The veterinary drugs represent different classes including benzimidazoles, macrolides, penicillins, quinolones, sulphonamides, pyrimidines, tetracylines, nitroimidazoles, tranquillizers, ionophores, amphenicols and non-steroidal anti-inflammatory agents (NSAIDs). After protein precipitation, centrifugation and solid-phase extraction (SPE), the extracts were analysed by UPLCâToF-MS. From the acquired full scan data the drug-specific ions were extracted for construction of the chromatograms and evaluation of the results. The analytical method was validated according to the EU guidelines (2002/657/EC) for a quantitative screening method. At the concentration level of interest (MRL level) the results for repeatability (%RSDâ<â20% for 86% of the compounds), reproducibility (%RSDâ<â40% for 96% of the compounds) and the accuracy (80â120% for 88% of the compounds) were satisfactory. Evaluation of the CCÎČ values and the linearity results demonstrates that the developed method shows adequate sensitivity and linearity to provide quantitative results. Furthermore, the method is accurate enough to differentiate between suspected and negative samples or drug concentrations below or above the MRL. A set of 100 samples of raw milk were screened for residues. No suspected (positive) results were obtained except for the included blind reference sample containing sulphamethazine (88Â ÎŒg/l) that tested positive for this compound. UPLCâToF-MS combines high resolution for both LC and MS with high mass accuracy which is very powerful for the multi-compound analysis of veterinary drugs. The technique seems to be powerful enough for the analysis of not only veterinary drugs but also organic contaminants like pesticides, mycotoxins and plant toxins in one single method
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