bluuebunny/crossref_metadata_2025_split huggingface dataset:
Individual scale factor approach for the vibrational circular dichroism similarity‐guided spectral and conformational analysis of perezone and dihydroperezone
Authors: Muñoz Marcelo A. , Burgueño‐Tapia Eleuterio , Joseph‐Nathan Pedro 
Published: November 2022

AbstractEvaluation of DFT calculated vibrational parameters for the IR and VCD spectra similarity of perezone (1) and dihydroperezone (2) was undertaken. Conformational sets were obtained using different search engines, and the parameters needed for spectra prediction were obtained using several combinations of commonly employed functionals and basis sets, and then weighted spectra were generated and compared with observed traces to provide infrared similarity (SIR) and enantiomeric similarity index (ESI) values. These values evidenced a poor performance of the evaluated levels of theory that were overcome when using the individual scaling factors approach, providing 16% to 139% increases of theESIvalues. The best performing level of theory was the B3LYP/DGDZVP2 withESIvalues of 0.722 and 0.792 for1and2. Moreover, a correlation analysis showed that the irregular DFT performance arises from rotational strength deviations, which suggests to discard conformational abundance accuracy as the main source of differences. Furthermore, a similarity guided conformational analysis showed that conformations with highESIvalues prefer particular orientations of the CC bonds directly attached to the stereogenic carbon atom, with more distant dihedral angles having less influence. Additionally, folded and extended conformers appear to be equally capable to yield high individualESIvalues, although abundances of folded conformers just account for 16% of the total population. Nevertheless, abundance optimization showed that a highESIsimilarity value of 0.834, is possible when the population of these conformers is increased to 26%, suggesting that a larger abundance of these conformers might be present in solution.
Research article classification with text mining method
Authors: Gürbüz Tuğba , Uluyol Çelebi 
Published: November 2022

SummaryIn this article, it is aimed to classify research articles according to their subjects by using text mining method. The data set used for the study consists of research articles that are obtained by writing Python code with a state‐of‐the‐art web mining method. The collection of texts includes articles from the “Medicine”, “Social Sciences”, “Basic Sciences” and “Engineering” topics on the DergiPark‐Academic website. The data set consists of articles written in English and Turkish. In the first phase of text mining, text preprocessing and feature selection steps were applied to text data. Then the articles are classified according to their subject areas by employing Naive Bayes (NB), Random Forest (RF), and Support Vector Machine (SVM) algorithms. In the final phase of text mining, the performance of the algorithms is evaluated with respect to the machine learning performance criteria. The results show that the working times of the algorithms were close to each other. The fastest running algorithm is NB, while the slowest running algorithm is SVM. On the other hand, SVM dominates with the best accuracy results among others. Algorithm performances in both Turkish and English languages do not differ remarkably in terms of accuracy and speed.
A Gemini‐Type Superwettable Separator for Consecutive Purification of Water and Oil Phases from Oil‐Water Mixtures and Emulsions
Authors: Wang Deqi , Huang Haikang , Lv Yongli , Chen Kai , Zhong Yanlei , Chen Peisheng , Min Fan , Xie Ganhua , Dong Zhichao , Chu Zonglin 
Published: November 2022

AbstractOil pollution results from daily activities and a variety of industries have caused not only severe environmental problems but also wastage of valuable petrochemical resources. Separation based on superwettable materials holds promise; however, practical applications of a single type of superwettable materials were often limited due to their ability in treatment of complicated oil‐water systems. Herein, a Gemini‐type separator was created through the cooperation of two kinds of superwettable sand particles with opposite wettability, i. e., one is superhydrophobic whereas the other is superhydrophilic. Cooperatively by the two types of superwettable sand, consecutive separation and purification of both water and oil phases from complicated oil‐water systems (e. g., water mixed with a lighter or denser oil, water emulsified in oil, oil emulsified in water, and/or a combination of them in one batch) could be achieved with high flux and superior efficiency just in one single operation unit.
Immunosenescence: an unexplored role in glomerulonephritis
Authors: Van Laecke Steven , Van Damme Karel , Dendooven Amélie 
Published: November 2022

AbstractImmunosenescence is a natural ageing phenomenon with alterations in innate and especially adaptive immunity and contributes to reduced antimicrobial defence and chronic low‐grade inflammation. This is mostly reflected by an increase in organ‐directed and/or circulating reactive and cytolytic terminally differentiated T cells that have lost their expression of the costimulatory receptor CD28. Apart from being induced by a genetic predisposition, ageing or viral infections (particularly cytomegalovirus infection), immunosenescence is accelerated in many inflammatory diseases and uraemia. This translates into an enhancement of vascular inflammation and cardiovascular disease varying from endothelial dysfunction to plaque rupture. Emerging data point to a mechanistic role of CD28null T cells in glomerulonephritis, where they initiate and propagate local inflammation in concordance with dendritic cells and macrophages. They are suitably equipped to escape immunological dampening by the absence of homing to lymph nodes, anti‐apoptotic properties and resistance to suppression by regulatory T cells. Early accumulation of senescent CD28null T cells precedes glomerular or vascular injury, and targeting these cells could open avenues for early treatment interventions that aim at abrogating a detrimental vicious cycle.
Make online content accessible
Authors: Talarico Donna 
Published: November 2022

When you're creating social media graphics, downloadable lead magnets, new academic program pages for your website, and email newsletters, are you keeping accessibility in mind? I certainly hope so. It's not only required by federal law for many colleges and universities, but it's simply the right thing to do — and will most likely lead to a better experience for all, not just for students with disabilities.
Regulatory T‐cell‐derived interleukin‐15 shapes cytotoxic T cell memory
Authors: Geginat Jens , Granucci Francesca 
Published: November 2022

AbstractIt is well known that regulatory T‐cells (Tregs) are required to prevent autoimmunity, but they may also have some less‐well understood immune‐stimulatory effects. In particular, in CD8+ T‐cell responses Tregs select high‐affinity clones upon priming and promote memory by inhibiting inflammation‐dependent generation of short‐lived effector cells. In the current issue of the European Journal of Immunology [Eur. J. Immunol. 2023. 53: 2149400], Madi et al. report the surprising finding that human and murine FOXP3+ Tregs are a physiologically relevant source of IL‐15, a homeostatic cytokine that promotes antigen‐independent maintenance of CD8+ memory T‐cells. In mice that lack IL‐15 selectively in FOXP3+Tregs the authors show that the composition of the CD8+ T‐cell memory pool is altered in the absence of Treg‐derived IL‐15, since a subset of terminally effector memory cells is drastically reduced. Otherwise Treg‐derived IL‐15 is dispensable for antiviral immune responses and the generation of anti‐viral CD8+ memory T‐cells. These findings add to our understanding of the multifaceted role of Tregs in immune responses, and how IL‐15 derived from different cellular sources maintains anti‐viral T‐cell memory.
Enhanced Electrochemical Response of Isoniazid Electrocatalytic Oxidation on RGO‐PPD‐SiW Modified Electrode
Authors: Pisarevskaya E. Yu. , Klyuev A L. , Shapagin A V. , Efimov O N. 
Published: November 2022

AbstractThe electroactive composites based on reduced graphene oxide (RGO), poly‐o‐phenylenediamine (PPD) and heteropolyacids – H4SiW12O40nH2O (SiW) and H3[PW12O40] ⋅ nH2O (PW) was applied to a screen‐printed carbon electrode (SPCE) as a planar three‐electrode cell as the first step to creating various devices, in particular, sensors and catalysts. We studied potential use of the modified and unmodified SPCE planar electrode in determining the concentration of antitubercular antibiotic isoniazid (isonicotinic acid hydrazide C6H7N3O or INH). The best result was observed for SPCE+RGO‐PPD‐SiW. CV of normal saline with various concentrations of C6H7N3O demonstrated linear dependence of the relevant anodic peak current either in the bulk solution upon immersion of the modified electrode or in a droplet on the electrode surface.
Separation of unsaturated C18 fatty acids using perfluorinated‐micellar electrokinetic chromatography: I. Optimization and separation process
Authors: Ta Hai Yen , Perquis Lucie , Balayssac Stéphane , Déjugnat Christophe , Wodrinski Alexandre , Collin Fabrice , Gilard Véronique , Couderc François 
Published: November 2022

AbstractAmmonium perfluorooctanoate (APFOA) was used as a surfactant for the separation of free unsaturated C18 fatty acids by micellar electrokinetic chromatography. A simple background electrolyte of 50 mM APFOA water/methanol (90:10, v/v) at pH = 10 enabled the repeatable separation of oleic acid, elaidic acid, linoleic acid, and alpha‐linolenic acid in less than 20 min. Separation conditions were optimized regarding various parameters (organic solvent, counterion, APFOA concentration, and pH). Because the repulsive interactions between fluorocarbon chains and hydrogenated chains are known to lead to segregation and phase separation, the choice of perfluorinated micelles to separate such perhydrogenated long‐chain acids could appear astonishing. Therefore, the critical micelle concentration, the charge density, and the mobility of the micelles have been determined, resulting in a first description of the separation process.
A Bayesian framework for studying climate anomalies and social conflicts
Authors: Mukherjee Ujjal Kumar , Bagozzi Benjamin E. , Chatterjee Snigdhansu 
Published: November 2022

AbstractClimate change stands to have a profound impact on human society, and on political and other conflicts in particular. However, the existing literature on understanding the relation between climate change and societal conflicts has often been criticized for using data that suffer from sampling and other biases, often resulting from being too narrowly focused on a small region of space or a small set of events. These studies have likewise been critiqued for not using suitable statistical tools that () address spatio‐temporal dependencies, () obtain probabilistic uncertainty quantification, and () lead to consistent statistical inferences. In this article, we propose a Bayesian framework to address these challenges. We find that there is a strong and substantial association between temperature anomalies on aggregated material conflicts and verbal conflicts globally. Going deeper, we also find significant evidence to suggest that positive temperature anomalies are associated with social conflict primarily through government‐civilian and government‐rebel material conflicts, as in civilian protests, rebel attacks against government resources, or acts of state repression. We find that majority of the conflicts associated with climate anomalies are triggered by rebel actors, and others react to such acts of conflict. Our results exhibit considerably nuanced relationships between temperature deviations and social conflicts that have not been noticed in previous studies. Methodologically, the proposed Bayesian framework can help social scientists explore similar domains involving large‐scale spatial and temporal dependencies. Our code and a synthetic dataset has been made publicly available.
‘Mindful eating’ for reducing emotional eating in patients with overweight or obesity in primary care settings: A randomized controlled trial
Authors: Morillo‐Sarto Héctor , López‐del‐Hoyo Yolanda , Pérez‐Aranda Adrián , Modrego‐Alarcón Marta , Barceló‐Soler Alberto , Borao Luis , Puebla‐Guedea Marta , Demarzo Marcelo , García‐Campayo Javier , Montero‐Marin Jesús 
Published: November 2022

AbstractObjectiveThe primary aim of this study was to analyse the efficacy of a ‘mindful eating’ programme for reducing emotional eating in patients with overweight or obesity.MethodA cluster randomized controlled trial (reg. NCT03927534) was conducted with 76 participants with overweight/obesity who were assigned to ‘mindful eating’ (7 weeks) + treatment as usual (TAU), or to TAU alone. They were assessed at baseline, posttreatment and 12‐month follow‐up. The main outcome was ‘emotional eating’ (Dutch Eating Behaviour Questionnaire, DEBQ); other eating behaviours were also assessed along with psychological and physiological variables.Results‘Mindful eating’ + TAU reduced emotional eating both at posttreatment (B = −0.27; p = 0.006; d = 0.35) and follow‐up (B = −0.53; p < 0.001; d = 0.69) compared to the control group (TAU alone). ‘External eating’ (DEBQ) was also significantly improved by the intervention at both timepoints. Significant effects at follow‐up were observed for some secondary outcomes related to bulimic behaviours, mindful eating, mindfulness, and self‐compassion. Weight and other physiological parameters were not significantly affected by ‘mindful eating’ + TAU.ConclusionsThese findings support the efficacy of the ‘mindful eating’ + TAU programme for reducing emotional and external eating, along with some other secondary measures, but no significant changes in weight reduction were observed.
A hybrid prediction model with time‐varying gain tracking differentiator in Taylor expansion: Evidence from precious metals
Authors: Luo Zhidan , Guo Wei , Liu Qingfu , Tse Yiuman 
Published: November 2022

AbstractIn this paper, we propose a modified hybrid prediction model to capture both linear and nonlinear patterns in time‐series data by incorporating autoregressive integrated moving average (ARIMA) models and Taylor expansions. We introduce a time‐varying gain in the tracking differentiator to reduce the peaking value that occurs in a constant high‐gain design. The models are tested with gold and silver futures prices. The results show that the hybrid model with time‐varying high gain tracking differentiator outperforms other hybrid models.
Effect of vitamin D supplementation on depression in older Australian adults
Authors: Rahman Sabbir T. , Waterhouse Mary , Romero Briony Duarte , Baxter Catherine , English Dallas R. , Almeida Osvaldo P. , Berk Michael , Ebeling Peter R. , Armstrong Bruce K. , McLeod Donald S. A. , Hartel Gunter , O’Connell Rachel L. , Pham Hai , Scott James G. , van der Pols Jolieke C. , Venn Alison J. , Webb Penelope M. , Whiteman David C. , Neale Rachel E. 
Published: November 2022

AbstractObjectivesTo investigate whether vitamin D supplementation reduces depressive symptoms and incidence of antidepressant use.MethodsWe used data from the D‐Health Trial (N = 21,315), a randomized double‐blind placebo‐controlled trial of monthly vitamin D3 for the prevention of all‐cause mortality. Participants were Australians aged 60–84 years. Participants completed the Patient Health Questionnaire (PHQ–9) at 1, 2 and 5 years after randomization to measure depressive symptoms; national prescribing records were used to capture antidepressant use. We used mixed models and survival models.ResultsAnalyses of PHQ‐9 scores included 20,487 participants (mean age 69·3 years, 46% women); the mean difference (MD) in PHQ‐9 score (vitamin D vs. placebo) was 0·02 (95% CI −0·06, 0·11). There was negligible difference in the prevalence of clinically relevant depression (PHQ‐9 score ≥10) (odds ratio 0·99; 95% CI 0·90, 1·08). We included 16,670 participants in the analyses of incident antidepressant use (mean age 69·4 years, 43% women). Incidence of antidepressant use was similar between the groups (hazard ratio [HR] 1·04; 95% CI 0·96, 1·12). In subgroup analyses, vitamin D improved PHQ‐9 scores in those taking antidepressants at baseline (MD −0·25; 95% CI −0·49, −0·01; p‐interaction = 0·02). It decreased risk of antidepressant use in participants with predicted 25(OH)D concentration <50 nmol/L (HR 0·88; 95% CI 0·75, 1·02; p‐interaction = 0·01) and increased risk in those with predicted 25(OH)D ≥ 50 nmol/L (HR 1·10; 95% CI 1·01, 1·20).ConclusionMonthly supplementation with high‐dose vitamin D3 was not of benefit for measures of depression overall, but there was some evidence of benefit in subgroup analyses.Clinical Trial RegistrationThe trial is registered on the Australian New Zealand Clinical Trials Registry: ACTRN12613000743763. https://www.anzctr.org.au/.
Implementation of a “Patient Blood Management” program in medium sized hospitals: Results of a survey among German hemotherapists
Authors: Frietsch Thomas , Wittenberg Gerhard , Horn Audrey , Steinbicker Andrea U. 
Published: November 2022

AbstractBackground and aimsGermany uses more blood transfusions than the majority of other countries. The objective of this study was to detect the degree of Patient Blood Management (PBM) implementation within Germany and to identify obstacles to establishing PBM programs.MethodsAn electronical questionnaire containing 21 questions and 4 topics was sent in 2018 to the members of the German interdisciplinary hemotherapy (IAKH) society in Germany. The degree of PBM (described as pre‐, intra‐, postoperative period) was established via questions within the topics “management of preoperative anemia” (PA) (n = 5), “preoperative management and transfusion preparation” (n = 3), PBM organization and structure (n = 5), coagulation management (n = 3), perioperative transfusion performance and habits (n = 3), best practices and problems (n = 2).Results533 German hospitals with transfusion activity received the questionnaire with a 32.5% response rate to the survey. A dedicated PBM program had not been established in a quarter of all small and medium sized institutions. Red blood cell transfusion was the only therapeutic option in a third of institutions. Approximately half of the hospitals did not use knowledge of PA rates or transfusion needs of surgical procedures. Institutions failed to implement PBM because of a lack of profit, workload, personnel shortage, and administrative support.ConclusionPBM was not present in at least a quarter of the hospitals interrogated. Factors for improvement were the relationship between health care disciplines and sectors, economic incentives, inclusion of relevant disciplines, and the structure of the blood industry. To improve BPM implementation, hospitals need support to implement top‐down PBM projects.
Clinical Utility of Thigh and Mid‐Thigh Dual‐Energy x‐Ray Absorptiometry to Identify Bone and Muscle Loss
Authors: Vogrin Sara , Bani Hassan Ebrahim , Munandar Putra Fernan , Pasco Julie A , Kotowicz Mark A , Duque Gustavo 
Published: November 2022

AbstractSarcopenia and osteoporosis are highly prevalent syndromes in older people, characterized by loss of muscle and bone tissue, and related to adverse outcomes. Previous reports indicate mid‐thigh dual‐energy X‐ray absorptiometry (DXA) is well suited for the simultaneous assessment of bone, muscle, and fat mass in a single scan. Using cross‐sectional clinical data and whole‐body DXA images of 1322 community‐dwelling adults from the Geelong Osteoporosis Study (57% women, median age 59 years), bone and lean mass were quantified in three unconventional regions of interest (ROIs): (i) a 2.6‐cm‐thick slice of mid‐thigh, (ii) a 13‐cm‐thick slice of mid‐thigh, and (iii) the whole thigh. Conventional indices of tissue mass were also calculated (appendicular lean mass [ALM] and bone mineral density [BMD] of lumbar spine, hip, and femoral neck). The performance of thigh ROIs in identifying osteoporosis, osteopenia, low lean mass and strength, past falls, and fractures was evaluated. All thigh regions (especially whole thigh) performed well in identifying osteoporosis (area under the receiver‐operating characteristic [ROC] curve [AUC] > 0.8) and low lean mass (AUC >0.95), but they performed worse in the diagnosis of osteopenia (AUC 0.7–0.8). All thigh regions were equivalent to ALM in discrimination of poor handgrip strength, gait speed, past falls, and fractures. BMD in conventional regions was more strongly associated with past fractures than thigh ROIs. In addition to being faster and easier to quantify, mid‐thigh tissue masses can be used for identifying osteoporosis and low lean mass. They are also equivalent to conventional ROIs in their associations with muscle performance, past falls, and fractures; however, further validation is required for the prediction of fractures. © 2022 The Authors. JBMR Plus published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research.
DFT mechanistic study on nickel/IPr‐catalyzed aldehyde–alkyne reductive couplings with trialkylsilane/dialkylsilane
Authors: Ma Xuexiang , Feng Aili , Zhang Dongju 
Published: November 2022

AbstractDensity functional theory calculations were carried out to reveal the mechanistic details of aldehyde–alkyne reductive couplings with trialkylsilane/dialkylsilane. The reaction with trialkylsilane is found to proceed through oxidative cyclization, Si‐H/Ni‐O σ‐bond metathesis, and C(sp2)‐H reductive elimination, leading to silylated allylic alcohols. The steric hindrance between the n‐pent group of alkyne and iPr group of the NHC ligand determines the regioselectivity. While for the reaction with dialkylsilane, the present calculations propose a new mechanism, which consists of oxidative cyclization, Si−H/Ni−O σ‐bond metathesis, Ni−C/Si−H σ‐bond metathesis, and dehydrogenation, resulting in oxasilacyclopentenes. The calculated energy profiles rationalize the experimentally observed chemodivergence.
Ivermectin's Role in the Prevention of COVID‐19: A Systematic Review and Meta‐Analysis
Authors: Hu Gong‐Yi , Liang Chun‐An , Lin Pei‐Chin , Lin Chih‐Yang 
Published: November 2022

AbstractThis systematic review was performed to determine the population that benefited from prophylactic ivermectin. Seven databases of health‐related studies were searched for eligible trials without language restrictions. Randomized controlled trials (RCTs) and cohort studies investigating ivermectin for coronavirus disease 2019 (COVID‐19) prevention were included. Data were pooled using a random‐effects model, and subgroups were analyzed by study type and the pre‐ or postexposure population. The certainty of the evidence was determined by the Grading of Recommendations Assessment, Development, and Evaluation approach. Furthermore, 4 RCTs and 4 cohort studies with a moderate to high risk of bias were included in the analysis. The prophylactic use of ivermectin significantly decreased the overall incidence of COVID‐19 (odds ratio [OR], 0.26; 95% confidence interval [CI], 0.16‐0.44). Nevertheless, the positive result was not supported by the RCT. Ivermectin was associated with a lower risk of COVID‐19 (OR, 0.22; 95% CI, 0.12‐0.40) in the preexposure population, whereas no protective effect was observed in the postexposure population (OR, 0.39; 95% CI, 0.09‐1.67). In summary, prophylactic ivermectin did not prevent COVID‐19 in the postexposure population. Although the protective effect of ivermectin was shown in the overall and preexposure populations, the results were unreliable owing to poor‐quality evidence.