bluuebunny/crossref_metadata_2025_split huggingface dataset:
Scanning Protein Surfaces with DNA‐Encoded Libraries
Authors: Kunig Verena B. K. , Potowski Marco , Klika Škopić Mateja , Brunschweiger Andreas 
Published: December 2020

AbstractUnderstanding the ligandability of a target protein, defined as the capability of a protein to bind drug‐like compounds on any site, can give important stimuli to drug‐development projects. For instance, inhibition of protein–protein interactions usually depends on the identification of protein surface binders. DNA‐encoded chemical libraries (DELs) allow scanning of protein surfaces with large chemical space. Encoded library selection screens uncovered several protein–protein interaction inhibitors and compounds binding to the surface of G protein‐coupled receptors (GPCRs) and kinases. The protein surface‐binding chemotypes from DELs are predominantly chemically modified and cyclized peptides, and functional small‐molecule peptidomimetics. Peptoid libraries and structural peptidomimetics have been less studied in the DEL field, hinting at hitherto less populated chemical space and suggesting alternative library designs. Roughly a third of bioactive molecules evolved from smaller, target‐focused libraries. They showcase the potential of encoded libraries to identify more potent molecules from weak, for example, fragment‐like, starting points.
Joint optimization of energy saving and load balancing for data center networks based on software defined networks
Authors: He Yihao , Lu Zebin , Lei Junru , Deng Shuhua , Gao Xieping 
Published: December 2020

SummaryTo meet the surging demand for artificial intelligence and cloud service, data centers have been expanding rapidly on recent years. Therefore, data center networks have received great attention recently and more challenges gradually emerged. The exiting technology of data center networks (DCNs) has presented two problems: high energy consumption and network load imbalance. Traditionally, the middle‐box hardware is dedicated and complexly merged, such as network load balancer and network energy optimizer. As an emerging architecture, software defined networks (SDNs) brings an opportunity to accomplish load balancing and energy optimization simultaneously with its characteristics. In this article, we propose a traffic flow management strategy which jointly considers energy optimization and load balancing. The strategy forwards traffic flows with maximum available bandwidth multipath routing to balance network load. We minimize activated links and switches to save energy by scheduling traffic flows. We jointly formulate these as an integer linear programming (ILP) problem. We propose a heuristic algorithm to handle the problem. The full simulation results reveal the high efficiency of our algorithm and the coexistence of network energy optimization and load balancing.
Prediabetes/diabetes screening strategy at the periodontal clinic
Authors: Grigoriadis Andreas , Räisänen Ismo T. , Pärnänen Pirjo , Tervahartiala Taina , Sorsa Timo , Sakellari Dimitra 
Published: December 2020

AbstractObjectiveThe aim of the study was to propose an efficient chairside clinical strategy for the identification of undiagnosed hyperglycaemia in periodontal clinics.Material and methodsΑ chairside system was used for assessment of glycated hemoglobin 1c (HbA1c) and active Matrix Metalloproteinase‐8 levels (aMMP‐8) were analyzed by immunotest in patients (n = 150) who fulfilled the criteria for screening of the Centers for Disease Control and Prevention. Full‐mouth periodontal parameters were assessed and various data such as Body Mass Index (BMI), smoking and education were recorded.ResultsThirty‐one patients out of 150 tested were found with unknown hyperglycaemia (20.7%). Regarding sex, education, parent with diabetes, normal BMI, smoking, age ≥45 years and prior testing for diabetes, no differences were observed between subjects displaying HbA1c < 5.7 and ≥5.7% (Pearson's Chi‐square test, p > .05). Subgroups differed regarding BMI (kg/m2), tooth count, percentages of 4 and 5 mm pockets (Mann–Whitney and z‐test, p < .05). The diagnostic performance for HbA1c ≥5.7 was tested by Receiving Operator Characteristic curves and Areas Under the Curve (AUC) for the following: age ≥ 45 years and BMI (AUC 0.651, p = .010), the above and aMMP‐8 (AUC 0.660, p = .006), age ≥ 45 years, BMI and Stage of Periodontitis (AUC 0.711, p < .001) and age ≥ 45 years, BMI, aMMP‐8 and stage of periodontitis (AUC 0.713, p < .001).ConclusionsFindings of the study suggest that the combination of stage of periodontitis, increasing age, BMI and aMMP‐8, without chairside HbA1c assessment appears to be a viable screening strategy for referring dental patients for testing for prediabetes/diabetes.
The effect of proanthocyanidin and casein phosphopeptide‐amorphous calcium phosphate on the bond strength durability to caries‐affected dentin
Authors: Jowkar Zahra , Firouzmandi Maryam , Tabibi Sara 
Published: December 2020

AbstractObjectivesThe aim of this study was to evaluate the effect of proanthocyanidin (PA) and casein phosphopeptide‐amorphous calcium phosphate (CPP‐ACP) paste on the micro‐shear bond strength (μSBS) durability of an etch‐and‐rinse adhesive to caries‐affected dentin (CAD).Materials and methodsThe occlusal surfaces of 80 human molars with occlusal caries were ground to expose flat dentin surfaces with CAD. Then, they were randomly divided into four groups (n = 20) according to the CAD pretreatment. The study groups included no pretreatment, pretreatment with CPP‐ACP for 3 min, pretreatment with PA for 1 min, and pretreatment with PA for 1 min followed by CPP‐ACP for 3 min before adhesive application. After restoring the specimens with composite resin, μSBS testing was performed for half of the bonded surfaces in each group after 24 h and the other half was tested after 6 months of water storage and failure mode analysis was performed.ResultsThe PA group was associated with a higher μSBS than the control and CPP‐ACP groups after 24 hours (p < 0.05). No significant difference was observed regarding the μSBS of the control and the other groups after 24 h (p > 0.05). No significant difference was observed regarding the μSBS of the PA and PA + CPP‐ACP groups (p > 0.05). The μSBS of the 6‐month specimens was significantly lower than those of the 24‐h specimens for all the groups (p < 0.05) except for the PA group which did not exhibit a significant difference between the two times (p > 0.05). The most common type of failure was mixed failure.ConclusionPA pretreatment could stabilize the CAD‐resin interface and protect degradation over time. The same effect was not observed for CPP‐ACP or PA + CPP‐ACP.
Evaluating the substantivity of silver diamine fluoride in a dentin model
Authors: Minavi Brian , Youssefi Adam , Quock Ryan , Letra Ariadne , Silva Renato , Kirkpatrick Timothy C. , Tribble Gena , van der Hoeven Ransome 
Published: December 2020

AbstractObjectivesThe goal of endodontic therapy is to prevent apical periodontitis. This is achieved by biomechanical preparation, microbial control using endodontic irrigants, and complete obturation of the canal space. In order to prevent possible post‐obturation complications and for an added antimicrobial effect, substantivity is a desired characteristic of endodontic irrigants. Currently the most commonly used endodontic irrigant that produces an antibacterial substantivity effect is chlorohexidine (CHX). Silver diamine fluoride (SDF) is a topically applied agent for managing dental caries and has shown to stop caries lesion progression. The objective of this study was to compare the antimicrobial substantivity effect of 3.8% SDF against other commonly used endodontic irrigants such as 2% CHX and 6.25% Sodium hypochlorite (NaOCl).Material and methodsUsing a diffusion disc assay we determined the antimicrobial activities of 38%, 3.8%, 0.38%, and 0.038% of SDF against the bacterium Enterococcus faecalis OG1RF. Subsequently, we compared the levels of colonization of E. faecalis by scanning electron microscopy (SEM) at 1.5‐ and 3‐week time intervals on dentin pretreated with 3.8% SDF, 6.25% NaOCl, 2% CHX or sterile phosphate buffered saline (PBS).ResultsThe diffusion disc assay demonstrated that 38% and 3.8% of SDF inhibited the growth of E. faecalis. Moreover, the substantivity of 3.8% SDF (p < 0.01) was comparable to 2% CHX (p < 0.01) and it is significantly greater than 6.25% of NaOCl compared to the PBS treated samples after 1.5 and 3 weeks of incubation.ConclusionsIn this study, we demonstrate that SDF possesses antimicrobial properties against the opportunistic pathogen E. faecalis. Moreover, using a dentin model we show the substantivity of 3.8% SDF is significantly greater than 6.25% NaOCl, but is comparable to 2% CHX.
Hepatitis B virus exploits C‐type lectin receptors to hijack cDC1s, cDC2s and pDCs
Authors: Ouaguia Laurissa , Dufeu‐Duchesne Tania , Leroy Vincent , Decaens Thomas , Reiser Jean‐Baptiste , Sosa Cuevas Eleonora , Durantel David , Valladeau‐Guilemond Jenny , Bendriss‐Vermare Nathalie , Chaperot Laurence , Aspord Caroline 
Published: December 2020

AbstractObjectivesC‐type lectin receptors (CLRs) are key receptors used by DCs to orchestrate responses to pathogens. During infections, the glycan–lectin interactions shape the virus–host interplay and viruses can subvert the function of CLRs to escape antiviral immunity. Recognition of virus/viral components and uptake by CLRs together with subsequent signalling cascades are crucial in initiating and shaping antiviral immunity, and decisive in the outcome of infection. Yet, the interaction of hepatitis B virus (HBV) with CLRs remains largely unknown. As HBV hijacks DC subsets and viral antigens harbour glycan motifs, we hypothesised that HBV may subvert DCs through CLR binding.MethodsWe investigated here the pattern of CLR expression on BDCA1+ cDC2s, BDCA2+ pDCs and BDCA3+ cDC1s from both blood and liver of HBV‐infected patients and explored the ability of HBsAg to bind DC subsets through specific CLRs.ResultsWe highlighted for the first time that the CLR repertoire of circulating and intrahepatic cDC2s, cDC1s and pDCs was perturbed in patients with chronic HBV infection and that some CLR expression levels correlated with plasma HBsAg and HBV DNA levels. We also identified candidate CLR responsible for HBsAg binding to cDCs (CD367/DCIR/CLEC4A, CD32/FcɣRIIA) and pDCs (CD369/DECTIN1/CLEC7A, CD336/NKp44) and demonstrated that HBsAg inhibited DC functions in a CLR‐ and glycosylation‐dependent manner.ConclusionHBV may exploit CLR pathways to hijack DC subsets and escape from immune control. Such advances bring insights into the mechanisms by which HBV subverts immunity and pave the way for developing innovative therapeutic strategies to restore an efficient immune control of the infection by manipulating the viral glycan–lectin axis.
Self‐reported eating disorder psychopathology prevalence in community‐based female and male Albertans: Gender and age group comparisons
Authors: Smith Alyssa J. , Farstad Sarah M. , von Ranson Kristin M. 
Published: December 2020

AbstractObjectiveWe describe and compare eating disorder (ED) psychopathology prevalence in Canadian females and males across five age groups.MethodThis secondary data analysis study used the Eating Disorder Examination Questionnaire (EDE‐Q) to assess ED psychopathology in 1,316 Alberta community‐based female and male participants, aged 15 to 71.ResultsOverall, 15.3% of female and 8.2% of male participants reported clinically‐significant ED disturbances. Female participants reported greater global ED psychopathology than male participants, except older men and women aged 65–71, who reported similar, relatively low levels of global ED psychopathology. Women aged 65–71 endorsed less global ED psychopathology than younger females. More females than males reported regular binge eating and self‐induced vomiting, whereas other ED behaviors were endorsed at similar rates.DiscussionThis large‐scale study, the first involving a Canadian sample, contributes to a small literature on ED psychopathology in community‐based samples. The finding that 15% of female and 8% of male Albertans aged 15 to 71 endorsed clinically‐significant ED disturbances is concerning; however, women aged 65–71 reported lower ED psychopathology than younger females. Gender and age differences were observed in global ED psychopathology. Routine ED screening of non‐clinical adolescents and adults is warranted to permit prevention and early intervention.
Innate preference hierarchies coupled with adult experience, rather than larval imprinting or transgenerational acclimation, determine host plant use in Pieris rapae
Authors: Petrén Hampus , Gloder Gabriele , Posledovich Diana , Wiklund Christer , Friberg Magne 
Published: December 2020

AbstractThe evolution of host range drives diversification in phytophagous insects, and understanding the female oviposition choices is pivotal for understanding host specialization. One controversial mechanism for female host choice is Hopkins’ host selection principle, where females are predicted to increase their preference for the host species they were feeding upon as larvae. A recent hypothesis posits that such larval imprinting is especially adaptive in combination with anticipatory transgenerational acclimation, so that females both allocate and adapt their offspring to their future host. We study the butterfly Pieris rapae, for which previous evidence suggests that females prefer to oviposit on host individuals of similar nitrogen content as the plant they were feeding upon as larvae, and where the offspring show higher performance on the mother's host type. We test the hypothesis that larval experience and anticipatory transgenerational effects influence female host plant acceptance (no‐choice) and preference (choice) of two host plant species (Barbarea vulgaris and Berteroa incana) of varying nitrogen content. We then test the offspring performance on these hosts. We found no evidence of larval imprinting affecting female decision‐making during oviposition, but that an adult female experience of egg laying in no‐choice trials on the less‐preferred host Be. incana slightly increased the P. rapae propensity to oviposit on Be. incana in subsequent choice trials. We found no transgenerational effects on female host acceptance or preference, but negative transgenerational effects on larval performance, because the offspring of P. rapae females that had developed on Be. incana as larvae grew slower on both hosts, and especially on Be. incana. Our results suggest that among host species, preferences are guided by hard‐wired preference hierarchies linked to species‐specific host traits and less affected by larval experience or transgenerational effects, which may be more important for females evaluating different host individuals of the same species.
Antigen‐driven PD‐1+TOX+BHLHE40+ and PD‐1+TOX+EOMES+ T lymphocytes regulate juvenile idiopathic arthritis in situ
Authors: Maschmeyer Patrick , Heinz Gitta Anne , Skopnik Christopher Mark , Lutter Lisanne , Mazzoni Alessio , Heinrich Frederik , von Stuckrad Sae Lim , Wirth Lorenz Elias , Tran Cam Loan , Riedel René , Lehmann Katrin , Sakwa Imme , Cimaz Rolando , Giudici Francesco , Mall Marcus Alexander , Enghard Philipp , Vastert Bas , Chang Hyun‐Dong , Durek Pawel , Annunziato Francesco , van Wijk Femke , Radbruch Andreas , Kallinich Tilmann , Mashreghi Mir‐Farzin 
Published: December 2020

AbstractT lymphocytes accumulate in inflamed tissues of patients with chronic inflammatory diseases (CIDs) and express pro‐inflammatory cytokines upon re‐stimulation in vitro. Further, a significant genetic linkage to MHC genes suggests that T lymphocytes play an important role in the pathogenesis of CIDs including juvenile idiopathic arthritis (JIA). However, the functions of T lymphocytes in established disease remain elusive. Here we dissect the transcriptional and the clonal heterogeneity of synovial T lymphocytes in JIA patients by single‐cell RNA sequencing combined with T cell receptor profiling on the same cells. We identify clonally expanded subpopulations of T lymphocytes expressing genes reflecting recent activation by antigen in situ. A PD‐1+TOX+EOMES+ population of CD4+ T lymphocytes expressed immune regulatory genes and chemoattractant genes for myeloid cells. A PD‐1+TOX+BHLHE40+ population of CD4+, and a mirror population of CD8+ T lymphocytes expressed genes driving inflammation, and genes supporting B lymphocyte activation in situ. This analysis points out that multiple types of T lymphocytes have to be targeted for therapeutic regeneration of tolerance in arthritis.
Modelling at‐level allodynia after mid‐thoracic contusion in the rat
Authors: Blumenthal Gary H. , Nandakumar Bharadwaj , Schnider Ashley K. , Detloff Megan R. , Ricard Jerome , Bethea John R. , Moxon Karen A. 
Published: December 2020

AbstractBackgroundThe rat mid‐thoracic contusion model has been used to study at‐level tactile allodynia, a common type of pain that develops after spinal cord injury (SCI). An important advantage of this model is that not all animals develop hypersensitivity. Therefore, it can be used to examine mechanisms that are strictly related to the development of pain‐like behaviour separately from mechanisms related to the injury itself. However, how to separate animals that develop hypersensitivity from those that do not is unclear.MethodsThe aims of the current study were to identify where hypersensitivity and spasticity develop and use this information to identify metrics to separate animals that develop hypersensitivity from those that do not to study differences in their behaviour. To accomplish these aims, a grid was used to localize hypersensitivity on the dorsal trunk relative to thoracic dermatomes and supraspinal responses to tactile stimulation were tallied. These supraspinal responses were used to develop a hypersensitivity score to separate animals that develop hypersensitivity, or pain‐like response to nonpainful stimuli.ResultsSimilar to humans, the development of hypersensitivity could occur with the development of spasticity or hyperreflexia. Moreover, the time course and prevalence of hypersensitivity phenotypes (at‐, above‐, or below level) produced by this model were similar to that observed in humans with SCI.ConclusionHowever, the amount of spared spinal matter in the cord did not explain the development of hypersensitivity, as previously reported. This approach can be used to study the mechanisms underlying the development of hypersensitivity separately from mechanisms related to injury alone.
Hybrid heat sinks for thermal management of passively cooled battery chargers
Authors: Sodhi Gurpreet Singh , Botting Chris , Lau Eric , Palanisamy Muthukumar , Rouhani Mina , Bahrami Majid 
Published: December 2020

SummaryBattery chargers are an important component in electric and plug‐in hybrid vehicles and various other clean energy systems. The thermal management in battery charger is a crucial aspect that influences its overall performance and cyclic stability. Passive cooling technology using heat sinks is preferred in developing battery chargers due to its reliability, quietness, and efficiency (no parasitic power). In the present work, new hybrid passive heat sinks (HPHS) with various fin geometries, namely inclined interrupted fins, pin fins, and straight interrupted fins, have been developed by adding a phase change material (PCM) layer to passively cooled bare fin heat sinks (BFHS). The developed heat sinks have the same geometric footprint as that of the battery charger, IC650 built by the industrial partner of the project Delta‐Q Technologies. Experimental investigations were carried out to analyze the effects of PCM quantities and continuous (80‐120 W) and intermittent (duty cycle operation) thermal loads on the heating‐cooling performance of the HPHS. Temperature contours obtained using infrared images show that the proposed HPHS provides a more uniform temperature with reduced hot spots compared to BFHS. The heating and cooling performances of straight interrupted fins‐based HPHS were found better for all thermal loads and PCM quantities tested due to their smaller thermal resistance. Increasing the PCM volume fraction from 0.2 to 0.6 improves the load shedding capacity. However, the added thermal resistance requires optimal consideration. While conducting different cyclic operations for inclined interrupted fins‐based HPHS, a maximum overall thermal management ratio of 0.45 was achieved. The proposed HPHS minimizes the temperature fluctuations more effectively while operating at high loads and shorter duty periods. This new passively cooled hybrid heat sink can notably improve the overall performance and reliability of battery chargers during both continuous and intermittent operations.
Comparing single‐phase, non‐Newtonian approaches with experimental results: Validating flume‐scale mud and debris flow in HEC‐RAS
Authors: Gibson S. , Floyd I. , Sánchez A. , Heath R. 
Published: December 2020

AbstractPost‐fire debris flows and tailing impoundment failures destroy lives and property. These geologic hazards – and other similar processes – fall on a continuum between classic Newtonian flood analyses and geotechnical stability analyses. The US Army Corps of Engineers (USACE) is developing a non‐Newtonian library (DebrisLib) that includes a suite of rheological and clastic approaches to hyper‐concentrated, mudflow and debris flow dynamics. The Hydrologic Engineering Center (HEC) has implemented these non‐Newtonian methods into the widely used, public‐domain open‐channel hydraulics and morphodynamic software, HEC‐RAS (river analysis system). This work presents part of the verification and validation of these non‐Newtonian approaches, applying several rheological equations to published laboratory results high‐concentration flume experiments.This study tested the linear Bingham model as well as the turbulent and Bagnold quadratic terms of the O'Brien equation. HEC‐RAS also includes the non‐linear Herschel–Bulkley (HB) approach, which quantifies shear‐thickening or shear‐thinning processes. The study used these non‐Newtonian models in HEC‐RAS to simulate 10 of Parsons et al.’s (2001) flume experiments, which measured the snout and plug velocity of fluids with high solid concentrations (Cv = 68–74%) and a broad range of material gradations (d50 = 0.05–1 mm, d15 = 0.006–0.1 mm). The experiments also measured and back‐calculated Bingham and HB parameters of the materials, finding HB powers between 0.45 and 1.25 (i.e. fluids that are dilatant, pseudo‐plastic and visco‐plastic).The rheological models incorporated into DebrisLib and implemented in HEC‐RAS reproduce experimental data well for most experiments. The Bingham model generated a plug velocity root‐mean‐square error (RMSE) of 0.21 m/s using standard flow parameters and Parsons et al.’s calibrated parameters, a substantial improvement over the unmodified shallow water flow equations (RMSE 0.77 m/s). Experiments with strong snout effects tended to generate higher residuals, especially in the snout velocity. The RMSE associated with the O'Brien equation was larger with the Parsons et al. fit parameters, but similar (0.23 m/s) with measured parameters. The turbulent parameter was the largest (often the dominant) parameter in most O'Brien simulations, with the dispersive stress only proving significant for the coarsest material. DebrisLib had to use a modified version of the dispersive term to simulate these concentrations. Both the 2D depth‐averaged shallow water equation (SWE) and diffusion wave equation were used to simulate the experiments. The best results were obtained with the SWE with horizontal mixing.