The degree of non-Markovianity of quantum processes has been characterized in several different ways in the recent literature. However, the relationship between the non-Markovian behavior and the ...flow of information between the system and the environment through an entropic measure has not been yet established. We propose an entanglement-based measure of non-Markovianity by employing the concept of assisted knowledge, where the environment scriptE, acquires information about a system scriptS, by means of its measurement apparatus scriptA. The assisted knowledge, based on the accessible information in terms of von Neumann entropy, monotonically increases in time for all Markovian quantum processes. We demonstrate that the signatures of non-Markovianity can be captured by the nonmonotonic behavior of the assisted knowledge. We explore this scenario for a two-level system undergoing a relaxation process, through an experimental implementation using an optical approach that allows full access to the state of the environment.
New X‐ray crystallography and cryo‐electron microscopy (cryo‐EM) approaches yield vast amounts of structural data from dynamic proteins and their complexes. Modeling the full conformational ensemble ...can provide important biological insights, but identifying and modeling an internally consistent set of alternate conformations remains a formidable challenge. qFit efficiently automates this process by generating a parsimonious multiconformer model. We refactored qFit from a distributed application into software that runs efficiently on a small server, desktop, or laptop. We describe the new qFit 3 software and provide some examples. qFit 3 is open‐source under the MIT license, and is available at https://github.com/ExcitedStates/qfit-3.0.
Type 1 diabetes (T1D) is a multifactorial disease that has a strong genetic component. The HLA-G is a nonclassical HLA class I locus that is associated with immunomodulatory functions, including ...downregulation of innate and adaptive immune responses and induction of immune tolerance. However, there is currently limited information about the involvement of HLA-G in T1D susceptibility. This case-control study aims to investigate the T1D susceptibility association of alleles and genotypes of a widely investigated 14-bp insertion/deletion polymorphism in the HLA-G and to provide further evidence of the frequency distribution of class II HLA-DR-DQ-risk genotypes in T1D children and adolescents in the Brazilian population. The deletion allele and the homozygous deletion genotype are associated with susceptibility to T1D and the insertion allele and the heterozygous deletion/insertion genotype are associated with protection from T1D. We also confirm that genetic susceptibility to T1D is associated with the DRB1*03:01-DQA1*05:01-DQB1*02:01 and DRB1*04-DQA1*03:01-DQB1*03:02 haplotypes in Brazilian northeast region. The DR3-DQ2/DR4-DQ8 genotype conferred the highest detected risk for T1D. Our results identify a novel association of the 14-bp deletion allele and the homozygous deletion genotype with T1D development and provide additional evidence of the importance of HLA class II heterozygous DR3-DQ2/DR4-DQ8 genotype in T1D susceptibility.
Aim
To evaluate the frequency of post‐treatment apical periodontitis associated with root filled teeth with at least one untreated root canal.
Methodology
Eight hundred and seven cone beam computed ...tomography images containing at least one root filled tooth were selected from a collection of 1543 images from Brazilian individuals. Scans were taken using ICAT Classic devices (Imaging Sciences, Hatfield, PA, USA) in a private oral radiology clinic from January to April 2015. All root filled teeth were analysed for the presence of missed canals and apical periodontitis. The chi‐square and odds ratio tests were used to verify if there were an association and risk relationship between the occurrence of untreated canals and apical periodontitis.
Results
A total of 2294 teeth with evidence of root fillings were identified. Two hundred and eighty‐one teeth had at least one untreated missed canal (12%). The frequency of apical periodontitis in teeth with at least one untreated canal was significantly greater in comparison to teeth with all canals treated (274/281, 98% versus 1736/2013, 86%) (P < 0.01). The odds for apical periodontitis to be present was 6.25 times greater for teeth with an untreated canal. The mesiobuccal roots of maxillary first molars had the greatest frequency of untreated canals (114/154, 74%), with the second mesiobuccal canal being the most frequently missed (n = 106/114, 93%).
Conclusion
Root filled teeth with at least one missed canal had a high prevalence of post‐treatment apical periodontitis.
Aim
To investigate the effects of liver fibrosis (LF) on the pro‐inflammatory mediators and periapical bone resorption of apical periodontitis (AP) in rats.
Methodology
Forty male Wistar rats were ...distributed into four groups: C – control, AP – rats with AP, LF – rats with LF, AP + LF – rats with AP and LF. LF was induced by carbon tetrachloride administration for 8 weeks and surgical bile duct ligation for 4 weeks; AP was induced in the teeth of rats by dental pulp exposure to the oral environment for 30 days. Jaws and livers were removed after euthanasia. Haematoxylin and Eosin (H&E) and Picrosirius Red (PSR) staining were used to confirm fibrosis in the livers. The jaws were analysed using H&E staining, immunohistochemical assays of interleukin (IL)‐1β, IL‐6 and tumour necrosis factor‐alpha (TNF‐α). Student’s t‐test and Mann–Whitney’s U‐test were used for statistical analysis (P < 0.05).
Results
Inflammatory infiltrate was moderate in the AP group and severe in the AP + LF group (P < 0.05). Periapical bone resorption was significantly larger in the AP + LF group compared with the AP group (P < 0.05). IL‐1β, IL‐6 and TNF‐α levels were significantly higher in AP + LF group when compared to the AP group (P < 0.05).
Conclusion
More intense inflammatory infiltrate, greater amounts of pro‐inflammatory cytokines and increased periapical bone resorption were observed in the presence of liver fibrosis in rats with exposed pulps.
Proteins and ligands sample a conformational ensemble that governs molecular recognition, activity, and dissociation. In structure-based drug design, access to this conformational ensemble is ...critical to understand the balance between entropy and enthalpy in lead optimization. However, ligand conformational heterogeneity is currently severely underreported in crystal structures in the Protein Data Bank, owing in part to a lack of automated and unbiased procedures to model an ensemble of protein–ligand states into X-ray data. Here, we designed a computational method, qFit-ligand, to automatically resolve conformationally averaged ligand heterogeneity in crystal structures, and applied it to a large set of protein receptor–ligand complexes. In an analysis of the cancer related BRD4 domain, we found that up to 29% of protein crystal structures bound with drug-like molecules present evidence of unmodeled, averaged, relatively isoenergetic conformations in ligand–receptor interactions. In many retrospective cases, these alternate conformations were adventitiously exploited to guide compound design, resulting in improved potency or selectivity. Combining qFit-ligand with high-throughput screening or multitemperature crystallography could therefore augment the structure-based drug design toolbox.
ABSTRACT
The Southern Photometric Local Universe Survey (S-PLUS) is imaging ∼9300 deg2 of the celestial sphere in 12 optical bands using a dedicated 0.8 m robotic telescope, the T80-South, at the ...Cerro Tololo Inter-american Observatory, Chile. The telescope is equipped with a 9.2k × 9.2k e2v detector with 10 $\rm {\mu m}$ pixels, resulting in a field of view of 2 deg2 with a plate scale of 0.55 arcsec pixel−1. The survey consists of four main subfields, which include two non-contiguous fields at high Galactic latitudes (|b| > 30°, 8000 deg2) and two areas of the Galactic Disc and Bulge (for an additional 1300 deg2). S-PLUS uses the Javalambre 12-band magnitude system, which includes the 5 ugriz broad-band filters and 7 narrow-band filters centred on prominent stellar spectral features: the Balmer jump/OII, Ca H + K, H δ, G band, Mg b triplet, H α, and the Ca triplet. S-PLUS delivers accurate photometric redshifts (δz/(1 + z) = 0.02 or better) for galaxies with r < 19.7 AB mag and z < 0.4, thus producing a 3D map of the local Universe over a volume of more than $1\, (\mathrm{Gpc}/h)^3$. The final S-PLUS catalogue will also enable the study of star formation and stellar populations in and around the Milky Way and nearby galaxies, as well as searches for quasars, variable sources, and low-metallicity stars. In this paper we introduce the main characteristics of the survey, illustrated with science verification data highlighting the unique capabilities of S-PLUS. We also present the first public data release of ∼336 deg2 of the Stripe 82 area, in 12 bands, to a limiting magnitude of r = 21, available at datalab.noao.edu/splus.
There is an imminent need for rapid methods to detect and determine pathogenic bacteria in food products as alternatives to the laborious and time-consuming culture procedures. In this work, an ...electrochemical immunoassay using iron/gold core/shell nanoparticles (Fe@Au) conjugated with anti-Salmonella antibodies was developed. The chemical synthesis and functionalization of magnetic and gold-coated magnetic nanoparticles is reported. Fe@Au nanoparticles were functionalized with different self-assembled monolayers and characterized using ultraviolet-visible spectrometry, transmission electron microscopy, and voltammetric techniques. The determination of Salmonella typhimurium, on screen-printed carbon electrodes, was performed by square-wave anodic stripping voltammetry through the use of CdS nanocrystals. The calibration curve was established between 1×101 and 1×106cells/mL and the limit of detection was 13cells/mL. The developed method showed that it is possible to determine the bacteria in milk at low concentrations and is suitable for the rapid (less than 1h) and sensitive detection of S. typhimurium in real samples. Therefore, the developed methodology could contribute to the improvement of the quality control of food samples.
•Iron oxide/gold core/shell magnetic nanoparticles for Salmonella detection are made.•The magnetic property of the nanoparticles allows rapid separation of Salmonella.•Salmonella analysis could be performed in less than 1h.•A screen-printed carbon electrode for Salmonella detection is tested.•Application to milk samples is successfully performed.
Abstract
Many inland waters exhibit complete or partial desiccation, or have vanished due to global change, exposing sediments to the atmosphere. Yet, data on carbon dioxide (CO
2
) emissions from ...these sediments are too scarce to upscale emissions for global estimates or to understand their fundamental drivers. Here, we present the results of a global survey covering 196 dry inland waters across diverse ecosystem types and climate zones. We show that their CO
2
emissions share fundamental drivers and constitute a substantial fraction of the carbon cycled by inland waters. CO
2
emissions were consistent across ecosystem types and climate zones, with local characteristics explaining much of the variability. Accounting for such emissions increases global estimates of carbon emissions from inland waters by 6% (~0.12 Pg C y
−1
). Our results indicate that emissions from dry inland waters represent a significant and likely increasing component of the inland waters carbon cycle.
Despite the great diversity of plant growth-promoting bacteria (PGPB) with potential to partially replace the use of N-fertilizers in agriculture, few PGPB are explored for the production of ...commercial inoculants, reinforcing the importance of identifying positive plant-bacteria interactions. Aiming to better understand the influence of PGPB inoculation in plant development, two PGPB species with distant phylogenetic relationship were inoculated in maize. Maize seeds were inoculated with Bacillus sp. or Azospirillum brasilense. After germinating, the plants were subjected to two nitrogen treatments: full (N+) and limiting (N-) nitrogen supply. Then, anatomical, biometric and physiological analyses were performed. Both PGPB species modified the anatomical pattern of roots, as verified by the higher metaxylem vessel elements (MVE) number. Bacillus sp. also increased the MVE area in maize roots. Under N+ condition, both PGPB decreased the leaf protein content and led to the development of shorter roots; however, Bacillus sp. increased root and shoot dry weight, whereas A. brasilense increased photosynthesis rate and leaf nitrate content. In plants subjected to N limitation (N-), photosynthesis rate and photosystem II efficiency increased in those inoculated with Bacillus sp., whilst A. brasilense led to higher ammonium, amino acids and total soluble sugars contents in the leaves, compared to control. Plant developmental and metabolical patterns were switched by the inoculation, regardless the inoculant bacteria used, producing similar as well as distinct modifications on the parameters studied. These results indicatie that even non-diazotrophic inoculant strains can improve the plant N-status as result of the morpho-anatomical and physiological modifications produced by the PGPB. This article is protected by copyright. All rights reserved.
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