Large deviations for cluster size distributions in a continuous classical many-body system

An interesting problem in statistical physics is the condensation of classical particles in droplets or clusters when the pair-interaction is given by a stable Lennard-Jones-type potential. We study two aspects of this problem. We start by deriving a large deviations principle for the cluster size distribution for any inverse temperature $\beta\in (0,\infty)$ and particle density $\rho\in(0,\rho_{\mathrm{cp}})$ in the thermodynamic limit. Here $\rho_{\mathrm{cp}}>0$ is the close packing density. While in general the rate function is an abstract object, our second main result is the $\Gamma$-convergence of the rate function toward an explicit limiting rate function in the low-temperature dilute limit $\beta\to \infty$, $\rho\downarrow0$ such that $-\beta^{-1}\log\rho\to\nu$ for some $\nu\in(0,\infty)$. The limiting rate function and its minimisers appeared in recent work, where the temperature and the particle density were coupled with the particle number. In the decoupled limit considered here, we prove that just one cluster size is dominant, depending on the parameter $\nu$. Under additional assumptions on the potential, the $\Gamma$-convergence along curves can be strengthened to uniform bounds, valid in a low-temperature, low-density rectangle.Comment: Published in at http://dx.doi.org/10.1214/14-AAP1014 the Annals of Applied Probability (http://www.imstat.org/aap/) by the Institute of Mathematical Statistics (http://www.imstat.org

Large deviations for cluster size distributions in a continuous classical many-body system

An interesting problem in statistical physics is the condensation of classical particles in droplets or clusters when the pair-interaction is given by a stable Lennard-Jones-type potential. We study two aspects of this problem. We start by deriving a large deviations principle for the cluster size distribution for any inverse temperature $\beta\in(0,\infty)$ and particle density $\rho\in(0,\rho_{\rm{cp}})$ in the thermodynamic limit. Here $\rho_{\rm{cp}} >0$ is the close packing density. While in general the rate function is an abstract object, our second main result is the $\Gamma$-convergence of the rate function towards an explicit limiting rate function in the low-temperature dilute limit $\beta\to\infty$, $\rho \downarrow 0$ such that $-\beta^{-1}\log\rho\to \nu$ for some $\nu\in(0,\infty)$. The limiting rate function and its minimisers appeared in recent work, where the temperature and the particle density were coupled with the particle number. In the de-coupled limit considered here, we prove that just one cluster size is dominant, depending on the parameter $\nu$. Under additional assumptions on the potential, the Γ-convergence along curves can be strengthened to uniform bounds, valid in a low-temperature, low-density rectangle

Singlet oxygen inactivates protein tyrosine phosphatase-1B by oxidation of the active site cysteine

Singlet oxygen (1O2), an electronically excited form of molecular oxygen, is a mediator of biological effects of ultraviolet A radiation, stimulating signaling cascades in human cells. We demonstrate here that 1O2 generated by photosensitization or by thermodecomposition of 3,3′-(1,4-naphthylidene)dipropionate-1,4-endoperoxide inactivates isolated protein tyrosine phosphatases (PTPases). PTPase activities of PTP1B or CD45 were abolished by low concentrations of 1O2, but were largely restored by post-treatment with dithiothreitol. Electrospray ionization mass spectrometry analysis of tryptic digests of PTP1B exposed to 1O2 revealed oxidation of active-site Cys215 as the only cysteine residue oxidized. In summary, 1O2 may activate signaling cascades by interfering with phosphotyrosine dephosphorylation.This study was supported by Deutsche Forschungsgemeinschaft (Bonn, Germany; Sonderforschungsbereich 503, Project B1). H.S. is a Fellow of the National Foundation for Cancer Research, Bethesda, MD, USA

Learning from the 2018 heatwave in the context of climate change: Are high-temperature extremes important for adaptation in Scotland?

To understand whether high temperatures and temperature extremes are important for climate change adaptation in Scotland, we place the 2018 heatwave in the context of past, present, and future climate, and provide a rapid but comprehensive impact analysis. The observed hottest day, 5-day, and 30-day period of 2018 and the 5-day period with the warmest nights had return periods of 5-15 years for 1950-2018. The warmest night and the maximum 30-day average nighttime temperature were more unusual with return periods of >30 years. Anthropogenic climate change since 1850 has made all these high-temperature extremes more likely. Higher risk ratios are found for experiments from the CMIP6-generation global climate model HadGEM3-GA6 compared to those from the very-large ensemble system weather@home. Between them, the best estimates of the risk ratios for daytime extremes range between 1.2-2.4, 1.2-2.3, and 1.4-4.0 for the 1-, 5-, and 30-day averages. For the corresponding nighttime extremes, the values are higher and the ranges wider (1.5->50, 1.5-5.5, and 1.6->50). The short-period nighttime extremes were more likely in 2018 than in 2017, suggesting a contribution from year-to-year climate variability to the risk enhancement of extreme temperatures due to anthropogenic effects. Climate projections suggest further substantial increases in the likelihood of 2018 temperatures between now and 2050, and that towards the end of the century every summer might be as hot as 2018. Major negative impacts occurred, especially on rural sectors, while transport and water infrastructure alleviated most impacts by implementing costly special measures. Overall, Scotland could cope with the impacts of the 2018 heatwave. However, given the likelihood increase of high-temperature extremes, uncertainty about consequences of even higher temperatures and/or repeated heatwaves, and substantial costs of preventing negative impacts, we conclude that despite its cool climate, high-temperature extremes are important to consider for climate change adaptation in Scotland

Easy and Rapid Purification of Highly Active Nisin

Nisin is an antimicrobial peptide produced and secreted by several L. lactis strains and is specifically active against Gram-positive bacteria. In previous studies, nisin was purified via cation exchange chromatography at low pH employing a single-step elution using 1 M NaCl. Here, we describe an optimized purification protocol using a five-step NaCl elution to remove contaminants. The obtained nisin is devoid of impurities and shows high bactericidal activity against the nisin-sensitive L. lactis strain NZ9000. Purified nisin exhibits an IC50 of ~3 nM, which is a tenfold improvement as compared to nisin obtained via the one-step elution procedure

A pre-clinical validation plan to evaluate analytical sensitivities of molecular diagnostics such as BD MAX MDR-TB, Xpert MTB/Rif Ultra and FluoroType MTB

Rapid diagnosis of tuberculosis (TB) and antibiotic resistances are imperative to initiate effective treatment and to stop transmission of the disease. A new generation of more sensitive, automated molecular TB diagnostic tests has been recently launched giving microbiologists more choice between several assays with the potential to detect resistance markers for rifampicin and isoniazid. In this study, we determined analytical sensitivities as 95% limits of detection (LoD(95)) for Xpert MTB/Rif Ultra (XP-Ultra) and BD-MAX MDR-TB (BD-MAX) as two representatives of the new test generation, in comparison to the conventional FluoroType MTB (FT-MTB). Test matrices used were physiological saline solution, human and a mucin-based artificial sputum (MUCAS) each spiked with Mycobacterium tuberculosis in declining culture- and qPCR-controlled concentrations. With BD-MAX, XP-Ultra, and FTMTB, we measured LoD(95)(TB) values of 2.1 cfu/ml (CI95%: 0.9-23.3), 3.1 cfu/ml (CI95%: 1.288.9), and 52.1 cfu/ml (CI95%: 16.7-664.4) in human sputum;of 6.3 cfu/ml (CI95%: 2.931.8), 1.5 cfu/ml (CI95%: 0.7-5.0), and 30.4 cfu/ml (CI95%: 17.4-60.7) in MUCAS;and of 2.3 cfu/ml (CI95%: 1.1-12.0), 11.5 cfu/ml (CI95%: 5.6-47.3), and 129.1 cfu/ml (CI95%: 82.8-273.8) in saline solution, respectively. LoD(95) of resistance markers were 9 to 48 times higher compared to LoD(95)(TB). BD-MAX and XP-Ultra have an equal and significantly increased analytical sensitivity compared to conventional tests. MUCAS resembled human sputum, while both yielded significantly different results than normal saline. MUCAS proved to be suitable for quality control of PCR assays for TB diagnostics

Numérique : impact sur le cycle de vie du document (Le)

Actes du colloque "Le numérique : impact sur le cycle de vie du document" organisé à l\u27université de Montréal par l\u27EBSI et l\u27ENSSIB du 13 au 15 octobre 2004. Son objectif était de traiter de façon interdisciplinaire la problématique suivante : « La numérisation, la diffusion des formats numériques originaux, les nouvelles méthodes d\u27indexation et d\u27analyse du document ainsi que le fonctionnement en réseau changent les données de base de la vie du document qui devient une sorte de phénix incessamment renaissant » (programme du colloque)

SARS-CoV-2 N501Y Introductions and Transmissions in Switzerland from Beginning of October 2020 to February 2021—Implementation of Swiss-Wide Diagnostic Screening and Whole Genome Sequencing

The rapid spread of the SARS-CoV-2 lineages B.1.1.7 (N501Y.V1) throughout the UK, B.1.351 (N501Y.V2) in South Africa, and P.1 (B.1.1.28.1; N501Y.V3) in Brazil has led to the definition of variants of concern (VoCs) and recommendations for lineage specific surveillance. In Switzerland, during the last weeks of December 2020, we established a nationwide screening protocol across multiple laboratories, focusing first on epidemiological and microbiological definitions. In January 2021, we validated and implemented an N501Y-specific PCR to rapidly screen for VoCs, which are then confirmed using amplicon sequencing or whole genome sequencing (WGS). A total of 13,387 VoCs have been identified since the detection of the first Swiss case in October 2020, with 4194 being B.1.1.7, 172 B.1.351, and 7 P.1. The remaining 9014 cases of VoCs have been described without further lineage specification. Overall, all diagnostic centers reported a rapid increase of the percentage of detected VOCs, with a range of 6 to 46% between 25 to 31 of January 2021 increasing towards 41 to 82% between 22 to 28 of February. A total of 739 N501Y positive genomes were analysed and show a broad range of introduction events to Switzerland. In this paper, we describe the nationwide coordination and implementation process across laboratories, public health institutions, and researchers, the first results of our N501Y-specific variant screening, and the phylogenetic analysis of all available WGS data in Switzerland, that together identified the early introduction events and subsequent community spreading of the VoCs

Ocean Acidification Risk Assessment for Alaska's Fishery Sector

The highly productive fisheries of Alaska are located in seas projected to experience strong global change, including rapid transitions in temperature and ocean acidification-driven changes in pH and other chemical parameters. Many of the marine organisms that are most intensely affected by ocean acidification(OA) contribute substantially to the state’s commercial fisheries and traditional subsistence way of life. Prior studies of OA’s potential impacts on human communities have focused only on possible direct economic losses from specific scenarios of human dependence on commercial harvests and damages to marine species. However, other economic and social impacts, such as changes in food security or livelihoods, are also likely to result from climate change. This study evaluates patterns of dependence on marine resources within Alaska that could be negatively impacted by OA and current community characteristics to assess the potential risk to the fishery sector from OA. Here, we used a risk assessment framework based on one developed by the Intergovernmental Panel on Climate Change to analyze earth-system global ocean model hindcasts and projections of ocean chemistry, fisheries harvest data, and demographic information. The fisheries examined were: shellfish, salmon and other fin fish. The final index incorporates all of these data to compare overall risk among Alaska’s federally designated census areas. The analysis showed that regions in southeast and southwest Alaska that are highly reliant on fishery harvests and have relatively lower incomes and employment alternatives likely face the highest risk from OA.Although this study is an intermediate step toward our full understanding, the results presented here show that OA merits consideration in policy planning, as it may represent another challenge to Alaskan communities, some of which are already under acute socio-economic strains.This study is part of the Synthesis of Arctic Research (SOAR) and was funded in part by the U.S. Department of the Interior, Bureau of Ocean Energy Management, Environmental Studies Program through Interagency Agreement No. M11PG00034 with the U.S. Department of Commerce, National Oceanic and Atmospheric Administration (NOAA), Office of Oceanic and Atmospheric Research (OAR), Pacific Marine Environmental Laboratory (PMEL).Ye