bluuebunny/crossref_metadata_2025_split huggingface dataset:
Atomistic grain boundary migration in Al2O3
Authors: Feng Bin , Wei Jiake , Shibata Naoya , Ikuhara Yuichi 
Published: December 2022

AbstractGrain boundary (GB) migration is one of the most important phenomena in materials science, which plays a key role in modifying the microstructures and properties of polycrystalline ceramic materials. Understanding how GB migrates is thus a fundamental and critical issue for future ceramic material design. While the understanding of GB atomic structures has evolved significantly over the past several decades due to the progress of atomic‐resolution electron microscopy and atomistic simulation, the understanding of the atomistic grain boundary migration is still lacking. The present article briefly reviews our recent progress on the direct observation of atomistic GB migration in ceramic material by atomic‐resolution scanning transmission electron microscopy (STEM). Using Al2O3 as a model material, we found that the atomistic GB migration proceeds with atom shuffling accompanied by GB structural change and/or nucleation of disconnection, which is highly dependent on the GB atomic structures.
Probing Peptidylprolyl Bond cis/trans Status Using Distal 19F NMR Reporters
Authors: Killoran Patrick M. , Hanson George S. M. , Verhoork Sanne J. M. , Smith Madeleine , Del Gobbo Davide , Lian Lu‐Yun , Coxon Christopher R. 
Published: December 2022

AbstractA method for measuring peptidylprolyl bond cis‐trans conformational status in peptide models is described, using 4‐fluorophenylalanine (4FPhe) as a distal reporter for 19F NMR. The %cis‐Pro population was measured for peptides of the general structure Ac‐X‐Pro‐Z‐Ala‐Ala‐4FPhe (X and Z are proteinogenic amino acids) at pH 7.4, and provided conformational populations consistent with literature values obtained by more complex methods. This approach was applied to probe the prolyl bond status in pentapeptide models of the intrinsically disordered C‐terminal region of α‐synuclein, which mirrored the preferences in the Ac‐X‐Pro‐Z‐Ala‐4FPhe models. Advantageously, the 19F reporter group does not need to be adjacent to or attached to proline to provide quantifiable signals and distal 4‐fluorophenylalanines can be placed so as not to influence prolyl bond conformation. Finally, we demonstrated that the prolyl bond status is not significantly affected by pH when there are ionisable amino acid residues at the carboxyl side of proline, which makes 19F NMR an invaluable tool with which to study proline isomerism at a range of pHs and in different solvents and buffers.
Synthesis of a B‐Antigen Hexasaccharide, a B‐Lewis b Heptasaccharide and Glycoconjugates Thereof to Investigate Binding Properties of Helicobacter pylori
Authors: Reihill Mark , Fournière Viviane , Cheallaigh Aisling Ní , Edlund Johan Olofsson , Miller Gavin John , Borén Thomas , Lahmann Martina , Oscarson Stefan 
Published: December 2022

AbstractInfecting the stomach of almost 50 % of people, Helicobacter pylori is a causative agent of gastritis, peptic ulcers and stomach cancers. Interactions between bacterial membrane‐bound lectin, Blood group Antigen Binding Adhesin (BabA), and human blood group antigens are key in the initiation of infection. Herein, the synthesis of a B‐antigen hexasaccharide (B6) and a B‐Lewis b heptasaccharide (BLeb7) and Bovine Serum Albumin glycoconjugates thereof is reported to assess the binding properties and preferences of BabA from different strains. From a previously reported trisaccharide acceptor a versatile key Lacto‐N‐tetraose tetrasaccharide intermediate was synthesized, which allowed us to explore various routes to the final targets, either via initial introduction of fucosyl residues followed by introduction of the B‐determinant or vice versa. The first approach proved unsuccessful, whereas the second afforded the target structures in good yields. Protein conjugation using isothiocyanate methodology allowed us to reach high glycan loadings (up to 23 per protein) to mimic multivalent displays encountered in Nature. Protein glycoconjugate inhibition binding studies were performed with H. pylori strains displaying high or low affinity for Lewis b hexasaccharide structures showing that the binding to the high affinity strain was reduced due to the presence of the B‐determinant in the Bleb7‐conjugates and further reduced by the absence of the Lewis fucose residue in the B6‐conjugate.
ACHEMA 2022: Innovationen und Trends in der Trocknungstechnik
Authors: Ruprecht Nora Alina , Frank Jennifer , Raiber Tobias V. , Teichmann Heike , Gschwind Peter , Kohlus Reinhard 
Published: December 2022

AbstractIn diesem Beitrag werden die Highlights der auf der ACHEMA 2022 ausgestellten Neuerungen zusammengefasst und es wird über die beobachteten Trends berichtet. Neben neuen Anlagen in einzelnen Trocknungsbereichen wurden die Schritte der Firmen in den Bereichen der Schwerpunktthemen Digitalisierung und Nachhaltigkeit näher betrachtet.
Unweighted estimation based on optimal sample under measurement constraints
Authors: Wang Jing , Wang HaiYing , Xiong Shifeng 
Published: December 2022

AbstractTo tackle massive data, subsampling is a practical approach to select the more informative data points. However, when responses are expensive to measure, developing efficient subsampling schemes is challenging, and an optimal sampling approach under measurement constraints was developed to meet this challenge. This method uses the inverses of optimal sampling probabilities to reweight the objective function, which assigns smaller weights to the more important data points. Thus, the estimation efficiency of the resulting estimator can be improved. In this paper, we propose an unweighted estimating procedure based on optimal subsamples to obtain a more efficient estimator. We obtain the unconditional asymptotic distribution of the estimator via martingale techniques without conditioning on the pilot estimate, which has been less investigated in the existing subsampling literature. Both asymptotic results and numerical results show that the unweighted estimator is more efficient in parameter estimation.
Asymptotic distribution of one‐component partial least squares regression estimators in high dimensions
Authors: Basa Jerónimo , Cook R. Dennis , Forzani Liliana , Marcos Miguel 
Published: December 2022

AbstractIn a one‐component partial least squares fit of a linear regression model, we find the asymptotic normal distribution, as the sample size and number of predictors approach infinity, of a user‐selected univariate linear combination of the coefficient estimator and give corresponding asymptotic confidence and prediction intervals. Simulation studies and an analysis of a dopamine dataset are used to support our theoretical asymptotic results and their practical application.
Effect of Biochar and Hyper‐Thermal Inoculum Addition on Polycyclic Aromatic Hydrocarbon‐Degrading Bacteria during Composting
Authors: Zhang Qingjun , Zhu Tong , Wang Youzhao , Yao Sai , An Ning , Xiao Qingxiang 
Published: December 2022

AbstractThe effects of biochar and hyper‐thermal inoculum on polycyclic aromatic hydrocarbon‐degrading bacterial communities (PAHBC) during the livestock manure composting are studied here. The experiment is performed on composting of livestock manure and wheat straw amended with biochar and hyper‐thermal inoculum. Physicochemical properties, enzyme activity, polycyclic aromatic hydrocarbons (PAHs), and microbial activities are monitored and the comprehensive assessment is analyzed during the composting process. The results show that the dominant phyla Firmicutes, Proteobacteria, and Actinomycetes that are potential PAH‐degrading bacterial community hosts are enriched. Meanwhile, the addition of biochar and hyper‐thermal inoculum enhances the abundance of PAHBC. Therefore, the biostimulation of biochar and hyper‐thermal inoculum could affect the frequency and composition of PAHBC.
Establishment of quantitative indicators for an efficient treatment on masticatory muscle pain
Authors: Lee Sunhee , Ju Hye‐Min , Ho Donald , Song Byong‐Sop , Jeong Sung‐Hee , Ahn Yong‐Woo , Ok Soo‐Min , Cheon Kyounga 
Published: December 2022

AbstractBackgroundAlthough several studies have investigated effective treatments for masticatory muscle pain (MMP), no unified conclusion has been drawn regarding the effectiveness of these treatments.ObjectivesThis study aimed to define quantitative indicators for predicting the outcome of MMP treatment.Materials and MethodsIn total, patients aged 20–70 years were recruited and divided into the MMP (n = 24) and control (n = 36) groups, based on the presence of MMP according to the Diagnostic Criteria for Temporomandibular Disorders. At pretreatment, the MMP group was assessed using quantitative indicators such as subjective pain levels, pain duration, graded chronic pain scale (GCPS), and perceived stress scale (PSS). Salivary alpha‐amylase (sAA) and interleukin‐6 (IL‐6) levels were analyzed. The masticatory muscle palpation score and the range of mouth opening were measured. At posttreatment, subjective pain levels, mouth opening, and treatment/medication duration were examined. The PSS and sAA levels were assessed in the control group.ResultssAA levels in the MMP group were significantly higher than those in the control group (p < .05). The masseter muscle palpation score (MPS) showed a positive correlation with IL‐6 levels (ρ = 0.503, p < .05) and a negative correlation with nonsteroidal anti‐inflammatory drug (NSAID) treatment period (ρ = −0.462, p < .05). The temporalis muscle palpation score (TPS) was positively correlated with pain duration and GCPS grade (ρ = 0.483, p < .05, and ρ = 0.445, p < .05, respectively).ConclusionsTreatment with NSAIDs was effective in the MMP group with high MPS and IL‐6 levels, but not in the MMP group with high TPS, pain duration, and GCPS grade.
Environmental tobacco smoke at home and in public places prior to smoking ban enforcement: Assessment by hair analysis in a population of young adult students
Authors: Roseren Claire , Binck Sylvia , Faÿs François , Ruiz‐Castell Maria , Samouda Hanen , Appenzeller Brice M. R. 
Published: December 2022

AbstractDespite inititatives to reduce tobacco consumption, smoking remains a primary cause of death for both smokers and nonsmokers exposed to environmental tobacco smoke (ETS). The characteristics of some specific groups can make them more exposed to ETS or limit the benefit of prevention measures. This study investigated determinants of ETS in a population of young adult students, considered at higher risk of exposure due to their specific lifestyle. This cross‐sectional study involved 90 students aged 20 ± 1.7 years, from the University of Luxembourg, prior to the smoking ban enforcement in public places in the country. Participants reported their tobacco consumption and exposure to ETS at home and/or in public places, and provided a hair sample analyzed for nicotine and cotinine. Nicotine and cotinine were significantly higher in smokers than in nonsmokers' hair in general (median: 2.6 vs. 0.9 ng/mg and 87.1 vs. 22.5 pg/mg respectively). However, nonsmokers exposed to ETS at home and in public places had comparable concentrations to smokers (nic = 2.2 ng/mg; cot = 56.2 pg/mg), whereas unexposed nonsmokers presented significantly lower values (nic = 0.4 ng/mg, cot = 8.5 pg/mg). Nonsmokers exposed to ETS only at home presented higher values than nonsmokers only exposed in public places (nic: 1.3 vs. 0.8 ng/mg, cot: 70.4 vs. 15.0 pg/mg). The study shows the widespread exposure to ETS in this population, the importance of exposure assessment, and the relevance of hair analysis for this purpose. Results suggest that ETS can lead to equivalent exposure to active smoking and that exposure at home can highly contribute to ETS, which is not solved by smoking ban in public places.
New gamma‐hydroxybutyric acid (GHB) biomarkers: Development and validation of a liquid chromatography–tandem mass spectrometry method for the determination of GHB amino acid, carnitine, and fatty acid conjugates in urine
Authors: Steuer Andrea E. , Sutter Linda , Steuer Christian , Kraemer Thomas 
Published: December 2022

AbstractGamma‐hydroxybutyric acid (GHB) represents an important drug in clinical and forensic toxicology, particularly in the context of drug‐facilitated crimes. Analytically, GHB remains a major challenge given its endogenous occurrence and short detection window. Previous studies identified a number of potential interesting novel conjugates of GHB with carnitine, amino acids (AA, glutamate, glycine, and taurine), or fatty acids. As a basis for comprehensive studies on the suitability of these novel biomarkers, we developed and validated a liquid chromatography–tandem mass spectrometry (LC–MS/MS) method in human urine. Additionally, already known markers 2,4‐dihydroxy butyric acid (2,4‐DHB), 3,4‐DHB, glycolic acid, succinic acid, succinylcarnitine, and GHB glucuronide were included. The method was fully validated according to (inter)national guidelines. Synthetic urine proved suitable as a surrogate matrix for calibration. Matrix effects were observed for all analytes with suppression effects of about 50% at QC LOW, and approximately 20% to 40% at QC HIGH, but with consistent standard deviation of <25% at QC LOW and <15% at QC HIGH, respectively. All analytes showed acceptable intra‐ and inter‐day imprecision of below 20%, except for inter‐day variation of GHB taurine and FA conjugates at the lowest QC. Preliminary applicability studies proved the usefulness of the method and pointed towards GHB glycine, followed by other AA conjugates as the most promising candidates to improve GHB detection. FA conjugates were not detected in urine samples yet. The method can be used now for comprehensive sample analysis on (controlled) GHB administration to prove the usefulness of the novel GHB biomarkers.
Changes in plant community assembly from patchy degradation of grasslands and grazing by different‐sized herbivores
Authors: Song Yueqing , Xu Man , Xu Tongtong , Zhao Xuan , Yue Yonghuan , Yu Haoran , Zhang Minna , Wang Ling 
Published: December 2022

AbstractGrassland degradation caused by increases in livestock grazing threatens a variety of ecosystem services. Understanding changes in plant community assembly during the process of grassland degradation in the presence of grazing is important to help restore degraded grasslands worldwide but has received little attention thus far. The grassland degradation process is typified by heterogeneous degradation, that is, gradual formation of degraded patches (hereafter “patchy degradation”). Here, we experimentally examined the effects of herbivore grazing and patchy degradation on plant community assembly using nine pairs of non‐degraded (intact) and patch‐degraded (fragmented) grasslands subject to grazing by different‐sized herbivores (i.e., NG, no grazing; SG, sheep grazing; CG, cattle grazing) over 4 years. Using a null‐model approach, we estimated the relative magnitude of deterministic processes of community assembly by comparing the observed and expected β‐diversity. We found that in the absence of herbivore grazing, deterministic processes played a greater role in community assembly, regardless of whether patchy degradation had occurred. However, the deterministic processes resulted in plant communities being more spatially similar in non‐degraded grasslands while being more dissimilar in patchy degraded grasslands. Compared with non‐degraded grasslands, species with strong competitive abilities (i.e., Leymus chinensis) were less dominant in patchy degraded grasslands, indicating relaxed competition and a reduced role of species interactions over plant communities. Instead, patchy degradation added the role of environmental variables over plant communities. SG consistently promoted more stochastic plant community assembly in both non‐degraded and patch‐degraded grasslands, while CG promoted more stochastic plant community assembly only in the non‐degraded state, having no effect in the patch‐degraded state. Our study offers important insights into changes in plant community assembly during ongoing patch‐degradation of grasslands, indicating the role of increased environmental filtering of soil and reduced species interactions in driving plant community dynamics with increasing grassland patchy degradation. We also uncovered an herbivore species‐specific effect on plant community assembly during the process of grassland degradation, which will better inform and improve future grassland restoration planning efforts.
Development of a brief cognitive‐behavioral treatment for avoidant/restrictive food intake disorder in the context of disorders of gut–brain interaction: Initial feasibility, acceptability, and clinical outcomes
Authors: Burton Murray Helen , Weeks Imani , Becker Kendra R. , Ljótsson Brjánn , Madva Elizabeth N. , Eddy Kamryn T. , Staller Kyle , Kuo Braden , Thomas Jennifer J. 
Published: December 2022

AbstractBackgroundAvoidant/restrictive food intake disorder (ARFID) symptoms are common (up to 40%) among adults with disorders of gut‐brain interaction (DGBI), but treatments for this population (DGBI + ARFID) have yet to be evaluated. We aimed to identify initial feasibility, acceptability, and clinical effects of an exposure‐based cognitive‐behavioral treatment (CBT) for adults with DGBI + ARFID.MethodsPatients (N = 14) received CBT as part of routine care in an outpatient gastroenterology clinic. A two‐part investigation of the CBT included a retrospective evaluation of patients who were offered a flexible (8–10) session length and an observational prospective study of patients who were offered eight sessions. Feasibility benchmarks were ≥75% completion of sessions, quantitative measures (for treatment completers), and qualitative interviews. Acceptability was assessed with a benchmark of ≥70% patients reporting a posttreatment satisfaction scores ≥3 on 1–4 scale and with posttreatment qualitative interviews. Mixed model analysis explored signals of improvement in clinical outcomes.ResultsAll feasibility and acceptability benchmarks were achieved (and qualitative feedback revealed high satisfaction with the treatment and outcomes). There were improvements in clinical outcomes across treatment (all p's < .0001) with large effects for ARFID fear (−52%; Hedge's g = 1.5; 95% CI = 0.6, 2.5) and gastrointestinal‐specific anxiety (−42%; Hedge's g = 1.0; 95% CI = 0.5, 16). Among those who needed to gain weight (n = 10), 94%–103% of expected weight gain goals were achieved.DiscussionInitial development and testing of a brief 8‐session CBT protocol for DGBI + ARFID showed high feasibility, acceptability, and promising clinical improvements. Findings will inform an NIH Stage 1B randomized control trial.Public significanceWhile cognitive‐behavioral treatments (CBTs) for ARFID have been created in outpatient feeding and eating disorder clinics, they have yet to be developed and refined for other clinic settings or populations. In line with the recommendations for behavioral treatment development, we conducted a two‐part investigation of an exposure‐based CBT for a patient population with high rates of ARFID—adults with disorders of gut–brain interaction (also known as functional gastrointestinal disorders). We found patients had high satisfaction with treatment and there were promising improvements for both gastrointestinal and ARFID outcomes. The refined treatment includes eight sessions delivered by a behavioral health care provider and the findings reported in this article will be studied next in an NIH Stage 1B randomized controlled trial.
Environmental and anthropogenic features mediate risk from human hunters and wolves for moose
Authors: Ausilio G. , Wikenros C. , Sand H. , Wabakken P. , Eriksen A. , Zimmermann B. 
Published: December 2022

AbstractLandscape characteristics, seasonal changes in the environment, and daylight conditions influence space use and detection of prey and predators, resulting in spatiotemporal patterns of predation risk for the prey. When predators have different hunting modes, the combined effects of multiple predators are mediated by the physical landscape and can result in overlapping or contrasting patterns of predation risk. Humans have become super‐predators in many anthropogenic landscapes by harvesting game species and competing with large carnivores for prey. Here, we used the locations of wolf (Canis lupus)‐killed and hunter‐killed moose (Alces alces) in south‐central Scandinavia to investigate whether environmental and anthropogenic features influenced where wolves and hunters killed moose. We predicted that the combined effects of wolves and hunters would result in contrasting spatial risk patterns due to differences in hunting modes. We expected these contrasting spatial risk patterns also to differ temporally. During the hunting season, the probability of a wolf kill increased with distance to bogs, whereas it decreased with increasing building density and distance to clearcuts and young forests. After the hunting season, the probability of a wolf kill increased with increasing terrain ruggedness and decreased with increasing building density, distance to main roads, and distance to clearcuts and young forests. The probability of a hunter kill was highest closer to bogs, main and secondary roads, in less rugged terrain and in areas with lower building density. Hunters killed all moose during the day, whereas wolves killed most moose at night during and after the hunting season. Our findings suggest that environmental and anthropogenic features mediate hunting and wolf predation risk. Additionally, we found that hunter‐ and wolf‐killed moose exhibited contrasting spatial associations to landscape features, most likely due to the different hunting modes displayed by hunters and wolves. However, wolf predation and hunting risks also contrasted over time since wolves killed mostly at night and hunters were restricted to hunting during daytime and during the hunting season. This temporal segregation in risk might therefore suggest that moose could minimize risk exposure by taking advantage of spatiotemporally vacant hunting domains.
A higher DNA damage rate in aqueous eDNA particles suggests intra‐cellular eDNA degradation in cellular environments
Authors: Jo Toshiaki S. 
Published: December 2022

AbstractA higher DNA quality in an environmental DNA (eDNA) sample is crucial for the improved and precise assessment of biodiversity via eDNA analysis. However, the frequency of damage of DNA molecules released from macro‐organisms in aquatic environments remains unclear. As a proof of concept, the rate of DNA damage (λ; per base pair) in an eDNA sample was estimated by measuring the quantity of target DNA with different fragment lengths using quantitative real‐time PCR (qPCR). Rearing water was collected from tanks housing zebrafish (Danio rerio) using filters with different pore sizes ranging from 0.2 to 10 μm, multiple fragment lengths of their mitochondrial eDNA concentrations were quantified and estimated the DNA damage rate based on an exponential relationship between target DNA concentrations and DNA fragment lengths. The DNA damage rate in zebrafish eDNA particles was higher for larger pore size filters, implying that cell membranes do not necessarily protect intra‐cellular DNA from degradation and high activity of intra‐cellular DNases actively degrades intra‐cellular eDNA molecules. Moreover, this finding may partly account for the apparently shorter persistence of larger eDNA particles in aquatic environments and the initial rapid decay of eDNA fragments in a biphasic degradation process. Additional field studies are required to investigate the frequency of DNA damage in different eDNA size fractions and states to facilitate the efficient collection of population genetic information on aquatic macro‐organisms from environmental samples.