bluuebunny/crossref_metadata_2025_split huggingface dataset:
Vacancy ordering in substoichiometric zirconium carbide: A review
Authors: Davey Theresa , Chen Ying 
Published: March 2022

AbstractZirconium carbide has a wide range of substoichiometry facilitated by varying numbers of carbon vacancies. Most experimental studies consider a solid solution of carbon and vacancies without long‐range ordering of vacancies. However, theoretical studies predict several superstructural long‐range ordered phases to be stable at low temperatures, and these predictions have been validated by experimental fabrication in some cases. The thermophysical properties of zirconium carbide are, therefore, affected not only by the number of carbon vacancies, but their arrangement, which increases the potential of its use as a tuneable ceramic in various applications in aerospace and nuclear industries. This review summarizes the experimental and theoretical studies exploring the long‐range ordered zirconium carbides including the known crystal structures, the mechanism for vacancy ordering, and the presently available information on the thermophysical properties. Explanations for the infrequent experimental observations of ordered zirconium carbides are also discussed considering fabrication temperatures, vacancy diffusion, and the effects of impurities, which may be helpful for future synthesis. While our understanding of vacancy ordering in zirconium carbide has vastly improved in recent years, there remain significant knowledge gaps. Areas where more experimental and theoretical studies are needed for further understanding are highlighted.
Liquid Biopsy for Patient Characterization in Cardiovascular Disease: Verification against Markers of Cytochrome P450 and P‐Glycoprotein Activities
Authors: Achour Brahim , Gosselin Pauline , Terrier Jean , Gloor Yvonne , Al‐Majdoub Zubida M. , Polasek Thomas M. , Daali Youssef , Rostami‐Hodjegan Amin , Reny Jean‐Luc 
Published: March 2022

Precision dosing strategies require accounting for between‐patient variability in pharmacokinetics together with subsequent pharmacodynamic differences. Liquid biopsy is a valuable new approach to diagnose disease prior to the appearance of clinical signs and symptoms, potentially circumventing invasive tissue biopsies. However, the possibility of quantitative grading of biomarkers, as opposed to simply confirming their presence or absence, is relatively new. In this study, we aimed to verify expression measurements of cytochrome P450 (CYP) enzymes and the transporter P‐glycoprotein (P‐gp) in liquid biopsy against genotype and activity phenotype (assessed by the Geneva cocktail approach) in 30 acutely ill patients with cardiovascular disease in a hospital setting. After accounting for exosomal shedding, expression in liquid biopsy correlated with activity phenotype for CYP1A2, CYP2B6, CYP2C9, CYP3A, and P‐gp (r = 0.44–0.70, P ≤ 0.05). Although genotype offered a degree of stratification, large variability (coefficient of variation (CV)) in activity (up to 157%) and expression in liquid biopsy (up to 117%) was observed within each genotype, indicating a mismatch between genotype and phenotype. Further, exosome screening revealed expression of 497 targets relevant to drug metabolism and disposition (159 enzymes and 336 transporters), as well as 20 molecular drug targets. Although there were no functional data available to correlate against these large‐scale measurements, assessment of disease perturbation from healthy baseline was possible. Verification of liquid biopsy against activity phenotype is important to further individualize modeling approaches that aspire to achieve precision dosing from the start of drug treatment without the need for multiple rounds of dose optimization.
Artificial Neural Network vs. Pharmacometric Model for Population Prediction of Plasma Concentration in Real‐World Data: A Case Study on Valproic Acid
Authors: Soeorg Hiie , Sverrisdóttir Eva , Andersen Morten , Lund Trine Meldgaard , Sessa Maurizio 
Published: March 2022

We compared the predictive performance of an artificial neural network to traditional pharmacometric modeling for population prediction of plasma concentrations of valproate in real‐world data. We included individuals aged 65 years or older with epilepsy who redeemed their first prescription of valproate after the diagnosis of epilepsy and had at least one valproate plasma concentration measured. A long short‐term memory neural network (LSTM) was developed using the training data set to fit the LSTM and the test data set to validate the model. Predictions from the LSTM were compared with those obtained from the population predictions from a pharmacometric model by Birnbaum et al. which had the best predictive performance for population predictions of valproate concentrations in Danish databases. We used the cutoff of ± 20 mg/L of prediction error to define good predictions. A total of 1,252 individuals were included in the study. The LSTM fitted using the training data set had poor predictive performance in the test data set, but better than that of the pharmacometric model. The proportion of individuals with at least one predicted concentration within ± 20 mg/L of observed concentration was largest in case of the LSTM (64.4%, 95% confidence interval (CI): 58.4–70.2%) compared with the pharmacometric model by Birnbaum et al. (49.8%, 95% CI: 47.0–52.6%). LSTM shows better predictive performance to predict valproate plasma concentrations compared with a traditional pharmacometric model in the investigated setting with real‐world data in older patients with epilepsy where information on exact timepoints for both dosing and plasma concentration measurement are missing.
Applying conflict resolution insights to the hyper‐polarized, society‐wide conflicts threatening liberal democracies
Authors: Burgess Guy , Burgess Heidi , Kaufman Sanda 
Published: March 2022

AbstractThrough this essay and its accompanying commentaries, we offer a focal point for a wide‐ranging dialogue about how those with conflict‐related expertise might do more to contribute to efforts to slow, and ultimately reverse, the hyper‐polarization spiral now threatening so many developed democracies. In addition to exploring ways for promoting the more widespread utilization of the conflict field's existing insights and practices, we consider strategies for better dealing with the enormous scale and complexity of contemporary society‐wide conflict, and for countering powerful, bad‐faith actors who, for personal profit, are deliberately amplifying our deep divisions. We propose a “massively parallel” approach that seeks to cultivate large numbers of independent but mutually reinforcing projects each addressing particular aspects of hyper‐polarization in specific contexts.
Quantitative trait loci impacting grain β‐glucan content in wild barley (Hordeum vulgare ssp. spontaneum) reveals genes associated with cell wall modification and carbohydrate metabolism
Authors: Walling Jason G. , Sallam Ahmad H. , Steffenson Brian J. , Henson Cynthia , Vinje Marcus A. , Mahalingam Ramamurthy 
Published: March 2022

AbstractBarley (Hordeum vulgare L.) seeds are a rich source of β‐glucans that can help reduce blood serum cholesterol content in human diets. However, high levels of this polysaccharide in the seeds causes inefficiencies such as slow lautering during the brewing process due to the higher wort viscosity. Thus, depending on the end use, barley breeding programs have opposing goals with respect to β‐glucan. Discovery of new alleles for β‐glucan content in exotic barley germplasm could have significant commercial importance. We leveraged the Wild Barley Diversity Collection (WBDC; N = 314), grown at University of California‐Davis experiment station, to characterize both the variation in β‐glucan content found in this wild barley subspecies (Hordeum vulgare spp. spontaneum) and to reveal chromosomal regions associated with this trait. Grain β‐glucan content ranged from 2.56 to 11.73% in the WBDC. Within structured subpopulations, geographical coordinates as well as annual precipitation data of original collection sites showed associations with differing levels of β‐glucan content. Genome‐wide association study identified a total of 13 quantitative traits loci (QTL) spread across the seven barley chromosomes that explained most of the variation in β‐glucan content in the WBDC. Previously reported genes associated with β‐glucan content such as β‐glucan synthases and hydrolases (e.g., callose synthase) were identified within these QTL regions. Genes such as Patatin and Nudix hydrolase provide novel targets for manipulating grain β‐glucan in barley. RNA‐seq data from both developing and germinating barley seeds for the annotated genes in the QTL regions provide further corroboration for a functional role for these genes in modulating seed β‐glucan levels.
A Hybrid Assembly with Nickel Poly‐Pyridine Polymer on CdS Quantum Dots for Photo‐Reducing CO2 into Syngas with Controlled H2/CO Ratios
Authors: Wang Hong‐Yan , Xie Wei‐Hua , Wei Dong‐Dong , Hu Rong , Wang Na , Chang Kai , Lei Shuang‐Lei , Wang Bin , Cao Rui 
Published: March 2022

AbstractA hybrid photocatalytic assembly with Ni poly‐pyridine polymers binding on CdS quantum dots was developed via thiophene immobilization. The fabricated hybrid assembly facilitated efficient charge separation, and each component endowed great synergy. As a result, a high syngas production rate was achieved over 5500 μmol gcat−1 h−1 from photocatalytic CO2 reduction under visible‐light irradiation, accompanied by an adjustable H2/CO ratio ranging from 4 : 1 to 1 : 3. A novel hybrid assembly was described for syngas synthesis with boosted activity and controlled selectivity, which provides a profile to ingeniously understand molecular‐level design for photocatalysts.
Functional trait database for Nova Scotian coastal barren, green roof, and ruderal flora
Authors: Heim Amy , Lundholm Jeremy 
Published: March 2022

AbstractThis is the first plant functional trait database for Nova Scotia, Canada. The data contained here were collected between 2016 and 2019 from locations around Halifax, Nova Scotia. The species selected for trait collection were chosen based on species inventories taken across Nova Scotian coastal barrens and from green roofs at Saint Mary's University. The purpose of the coastal barren trait data was to understand community assembly in this understudied ecosystem. The green roof inventory was included as coastal barren species are known to succeed on green roofs in Nova Scotia. The green roof trait data was used to answer questions surrounding coexistence and trait divergence, and community assembly and spatial heterogeneity. In total, this database contains 14,341 trait values from 203 species comprising 130 genera and 53 families. The majority of species are commonly found on coastal barrens (84 species), disturbed sites (48 species), and forests (27 species). Additionally, this database contains trait data for 30 species that have been successfully established (survival for >1 year) on green roofs in Nova Scotia and ruderal species that commonly colonize both green roofs and coastal barrens. This database contains 12 plant functional traits: leaf thickness (203 species), leaf area (203 species), specific leaf area (203 species), leaf dry matter content (203 species), plant height (203 species), canopy width (203 species), seed mass (79 species), seed shape (61 species), root radius (22 species), leaf phosphorus content (3 species), leaf nitrogen content (30 species), and leaf carbon content (30 species). The species in this database can be subdivided into 10 growth forms, with the majority of species characterized as forbs (75 species), shrubs (56 species), or graminoids (33 species). This data set is freely available for scientific use; when used in published analyses, this paper should be referred to as the data source.
Controlled Synthesis of β‐Keto Sulfones and Vinyl Sulfones under Electrochemical Oxidation
Authors: Fang Yang , Xu Dongping , Yu Yingliang , Tang Rumeng , Dai Shuaishuai , Wang Zhenghua , Zhang Wu 
Published: March 2022

AbstractSelective sulfonylation and oxosulfonylation of alkenes with sulfinates have been developed via anodic oxidation in an undivided cell. The novel electrosynthetic method provided β‐keto sulfones and vinyl sulfones with good to excellent yields in the absence of any transition metal catalyst and oxidants. Mechanism studies show that two different pathways involved in these two transformations.
Unique features of central neuropathic pain in multiple sclerosis: Results of a cluster analysis
Authors: Rivel Michal , Achiron Anat , Dolev Mark , Stern Yael , Zeilig Gabi , Defrin Ruth 
Published: March 2022

AbstractBackgroundCentral neuropathic pain (CNP) is an excruciating condition, prevalent in up to a third of patients with multiple sclerosis (MS). Identifying CNP among MS patients is particularly challenging considering the ample comorbid chronic pain conditions and sensory disturbances entailed by the disease. The aim was to identify sensory features unique to CNP beyond those of chronic pain and MS.MethodsParticipants were 112 MS patients: 44 with a diagnosis of CNP, 28 with a diagnosis of chronic musculoskeletal pain (MSP), and 40 pain free. Participants underwent testing of thermal and mechanical thresholds, thermal grill illusion (TGI), pain adaptation (PA), and offset analgesia (OA), and chronic pain was characterized. A two‐step cluster analysis was performed, and the association between the cluster membership and the clinical group membership (CNP, MSP, pain free) was evaluated.ResultsThe CNP and MSP groups were similar in most of the chronic pain variables (e.g., severity, location and quality) and MS‐related variables (e.g., type, severity and medication intake). The three created clusters had unique sensory features: (1) ‘Hyposensitivity’ (increased thermal and touch thresholds) characterized the CNP group; (2) ‘Poor inhibition and hyperalgesia’ (worst PA and OA and decreased TGI threshold) characterized the MSP group; and (3) ‘Efficient inhibition’ (best PA and OA, smallest sensory loss) characterized the pain‐free group.ConclusionsThe unique sensory features of CNP and MSP provide insight into their pathophysiology, and evaluating them may increase the ability to provide individually based interventions. Efficient inhibition may protect MS patients from chronic pain.SignificanceCluster analysis among patients with multiple sclerosis (MS) revealed that while central neuropathic pain is associated with thermal and mechanical hypoesthesia, musculoskeletal pain is involved with reduced pain inhibition and hyperalgesia; sensory profiles that provide insights into the mechanisms of these conditions and may promote an individually based pain management.
Multi‐hour ahead forecasting of building energy through a new integrated model
Authors: Cherier Mohamed Kamal , Hamdani Maamar , Guermoui Mawloud , Bouchouicha Kada , Bekkouche Sidi Mohammed El Amine 
Published: March 2022

AbstractThe increase in electricity demand requires improved energy planning programs, which involve better energy distribution. Therefore, precise energy demand forecasting is of great importance for optimizing energy distribution. In this respect, a new hybrid forecasting model was proposed in this study for multi‐hour forecasting of total energy requirement (cooling and heating load of buildings) in three different regions in Algeria with different climate conditions. The proposed models are based on two main steps: In the first step, time‐series data were decomposed using Complete Ensemble Empirical Mode Decomposition with Adaptive Noise (CEEMDAN) into a different intrinsic function (IMFs), and then extreme learning machine (ELM) is employed as essence predictors. The proposed CEEMDAN‐ELM model uses the decomposed IMFs as input data, and the total energy concern as a desired output. The integrated CEEMDAN‐ELM model was evaluated and validated on three different databases each of which had 2 years of measurement on an hourly scale. Experimental results show that the hybridization mechanism CEEMDAN‐ELM outperform the stand‐alone model (ELM) in terms of forecasting errors over the entire forecasting horizon. Forecasting results of CEEMDAN‐ELM led to a normalized root mean square error (nRMSE) in the range of [0.71–4.66] for all studied regions and horizons whereas conventional ELM provides an nRMSE in the range of [0.93–16.89].
Disproportionate and chronic sediment delivery from a fluvially controlled, deep‐seated landslide in Aotearoa New Zealand
Authors: McColl Samuel Thomas , Holdsworth Charlotte Naomi , Fuller Ian Christopher , Todd Malcolm , Williams Forrest 
Published: March 2022

AbstractPast research has highlighted the importance of sediment delivery from multiple‐occurrence regional landslide events triggered by storms or earthquakes. Herein, we examine delivery from a more persistent source of sediment, that of a large, slow‐moving landslide in the soft‐rock hill country of Aotearoa New Zealand. We map and monitor the 80‐ha Rangitikei Landslide from 2015 to 2019 using time‐lapse photography, ground surveys, photogrammetry, and piezometers. We show that the landslide can be divided into several zones with distinctive movement patterns, but all zones respond to river erosion. The fastest zone moves more than 10 m per year in a flow‐like fashion, while other zones move 0.01 m per year via slow sliding. Movement occurs all year round, but is two to three times faster in winter and spring. While rainfall and associated groundwater change are commonly attributed to landslide movement patterns, our data show that river flow correlates closely with the weekly to seasonal variability in movement of the landslide toe. This suggests that fluvial erosion can play an important role in the movement dynamics of highly coupled landslides. We estimate an annual sediment yield to the Rangitikei River of at least 40 000 tonnes, in this first quantification of sediment delivery from an active soft‐rock landslide in Aotearoa. This volume implies 7% of the total catchment suspended sediment yield is derived from 0.03% of the contributing catchment area, demonstrating the disproportionate effect of this (and likely other) deep‐seated landslide(s) as a source of sediment in the Rangitikei catchment. Sediment delivery is more continuous than the episodic supply of multiple‐occurrence regional landslide triggering events, and by delivering mostly fine‐grained sediment, it has a potentially large impact on water quality.
(Un)common space in infant neuroimaging studies: A systematic review of infant templates
Authors: Dufford Alexander J. , Hahn C. Alice , Peterson Hannah , Gini Silvia , Mehta Saloni , Alfano Alexis , Scheinost Dustin 
Published: March 2022

AbstractIn neuroimaging, spatial normalization is an important step that maps an individual's brain onto a template brain permitting downstream statistical analyses. Yet, in infant neuroimaging, there remain several technical challenges that have prevented the establishment of a standardized template for spatial normalization. Thus, many different approaches are used in the literature. To quantify the popularity and variability of these approaches in infant neuroimaging studies, we performed a systematic review of infant magnetic resonance imaging (MRI) studies from 2000 to 2020. Here, we present results from 834 studies meeting inclusion criteria. Studies were classified into (a) processing data in single subject space, (b) using an off the shelf, or “off the shelf,” template, (c) creating a study specific template, or (d) using a hybrid of these methods. We found that across the studies in the systematic review, single subject space was the most used (no common space). This was the most used common space for diffusion‐weighted imaging and structural MRI studies while functional MRI studies preferred off the shelf atlases. We found a pattern such that more recently published studies are more commonly using off the shelf atlases. When considering special populations, preterm studies most used single subject space while, when no special populations were being analyzed, an off the shelf template was most common. The most used off the shelf templates were the UNC Infant Atlases (24%). Using a systematic review of infant neuroimaging studies, we highlight a lack of an established “standard” template brain in these studies.
The causal role of the bilateral ventrolateral prefrontal cortices on emotion regulation of social feedback
Authors: Li Sijin , Xie Hui , Zheng Zixin , Chen Weimao , Xu Feng , Hu Xiaoqing , Zhang Dandan 
Published: March 2022

AbstractThe ventrolateral prefrontal cortices (VLPFC) are crucial regions involved in voluntary emotion regulation. However, the lateralization of the VLPFC in downregulating negative emotions remains unclear; and whether the causal role of the VLPFC is generalizable to upregulating positive emotions is unexplored. This study used transcranial magnetic stimulation (TMS) to examine the causal relationship between the left/right VLPFC and social emotion reappraisal. One hundred and twenty participants were randomly assigned to either active (left and right VLPFC groups, n = 40/40) or sham (vertex, n = 40) TMS groups. Participants were instructed to passively receive social feedback or use reappraisal strategies to positively regulate their emotions. While the subjective emotional rating showed that the bilateral VLPFC facilitated the reappraisal success, the electrophysiological measure of the late positive potential (LPP) demonstrated a more critical role of the right VLPFC on social pain relief (decreased LPP amplitudes) and social reward magnification (enhanced LPP amplitudes). In addition, the influence of emotion regulation on social evaluation was found to be mediated by the memory of social feedback, indicating the importance of memory in social behavioral shaping. These findings suggest clinical protocols for the rehabilitation of emotion‐regulatory function in patients with affective and social disorders.