bluuebunny/crossref_metadata_2025_split huggingface dataset:
Automated Bonding Analysis with Crystal Orbital Hamilton Populations
Authors: George Janine , Petretto Guido , Naik Aakash , Esters Marco , Jackson Adam J. , Nelson Ryky , Dronskowski Richard , Rignanese Gian‐Marco , Hautier Geoffroy 
Published: August 2022

AbstractInvited for this month′s cover are researchers from Bundesanstalt für Materialforschung und ‐prüfung (Federal Institute for Materials Research and Testing) in Germany, Friedrich Schiller University Jena, Université catholique de Louvain, University of Oregon, Science & Technology Facilities Council, RWTH Aachen University, Hoffmann Institute of Advanced Materials, and Dartmouth College. The cover picture shows a workflow for automatic bonding analysis with Python tools (green python). The bonding analysis itself is performed with the program LOBSTER (red lobster). The starting point is a crystal structure, and the results are automatic assessments of the bonding situation based on Crystal Orbital Hamilton Populations (COHP), including automatic plots and text outputs. Coordination environments and charges are also assessed. More information can be found in the Research Article by J. George, G. Hautier, and co‐workers.
A bibliometric and subject analysis of 3300 most‐cited articles in dentistry
Authors: Daryakenari Ghazaleh , Batooli Zahra 
Published: August 2022

AbstractObjectivesThis study aims to analyze the publications that have studied top‐cited articles in dentistry.Material and MethodsThe study is applied research in terms of the purpose and scientometrics descriptive in terms of type, which has been done using the Retrospective Bibliometric Analysis. To retrieve the 100 most‐cited studies in Scopus, an advance search was used. The search results indicate that 33 articles focused on analyzing the 100 most‐cited publications on oral and dental subjects. The bibliographic information, including author, journal, country, institution, citation count, and citation density was analyzed. Then the full text of the articles was reviewed to identify the most productive journal, country, and institute in publishing the 100 most‐cited articles and also article type, study design, level of evidence, and the most important subjects among the 100 most‐cited papers.ResultsIn these 33 articles, the topics of 3300 most‐cited articles were introduced, as well as the introduction of the core journals, countries, and institutes in publishing top‐cited articles. The most common research topics in the field of dentistry cover a range of dental public health and pediatric dentistry to adhesive restorative dentistry and implantology. Dental materials, oral medicine, and pathology seem like inseparable topics of common research in dentistry. J Dent Res, which was mentioned in nine articles, was introduced as the journal with the publication of articles of highest citation. J Clin Periodontol and Oral Surgery, Oral Medicine, Oral Pathology, and Oral Radiology were in the second place, being mentioned in five articles. The USA, and two institutions the University of Texas, and the University of Michigan are orderly core country and institute for the production of most‐cited articles.ConclusionResearchers and specialists can get familiar with the most productive author, journals, countries, and different institutes for publishing high‐quality articles in the field of oral and dental subjects by the means of the results of this article. Furthermore, the results of this study ranked the most cited article topics, which are of interest for publication, demonstrating the future map road oral and dental research.
Control strategy without phase‐locked loop based on power estimation and natural frame for single‐phase cascaded H‐bridge converter
Authors: Zhang Zhao , Chen Yanming , Yang Daliang , Kong Fannie , Liu Jinbao , Shao Dashuai , Peng Zuwen , Li Zheng , Zeng Sencai , Zhao Mingkai 
Published: August 2022

AbstractBased on a single‐phase cascaded H‐bridge (CHB) multilevel converter, this paper investigates a control strategy combining power estimation and natural frame control (NFC) with the omission of grid voltage sensors. Besides, this control method, without phase‐locked loop (PLL), can meet the continuous operation of the system and also eliminates grid voltage feedforward. First, natural frame control is introduced to derive the implementation process of control strategy without PLL, and the calculation formula of AC reference currents is given. Furthermore, the separate control of active and reactive currents is achieved. Second, the principle of proposed control algorithm is presented, and the sinusoidal voltage unit vector for synchronization can be accurately estimated. Next, considering the errors, the article corrects the method through parameter compensation. In addition, the balanced control method stabilized the DC side voltage of the converter. Finally, the effectiveness of this method is verified by computer simulation and experimental prototype.
The sedimentological death mask of a dying glacier
Authors: Le Heron Daniel Paul , Kettler Christoph , Wawra Arian , Schöpfer Martin , Grasemann Bernhard 
Published: August 2022

AbstractThe Pasterze is Austria's largest glacier, and it is experiencing rapid downwasting and retreat. A mosaic of complex sedimentary deposits has been produced in recent years which have not hitherto been studied, yet provide excellent lessons into the facies distribution expected from a dying valley glacier. In this paper, a new glaciological–geomorphological–geological map is presented for the glacier in July 2021. Freshly exposed (since 2018) tills and flutes constitute a subglacial sediment–landform assemblage. An ice‐marginal sediment–landform assemblage comprises meltwater streams, a delta system and proglacial lake terrace deposits. The supraglacial assemblage, meanwhile, includes fossil englacial channel deposits revealed by ablation, together with debris bands, rockfall deposits and supraglacial channel deposits. Collectively, these sediment–landform assemblages constitute the building blocks of a dying glacier landsystem.
Comprehensive characterization of multiple components ofZiziphus jujuba MillusingUHPLC‐Q‐ExactiveOrbitrap Mass Spectrometers
Authors: Qin Shi‐han , Yan Fang , E Shuai , Xiong Pei , Tang Su‐nv , Yu Kai‐quan , Zhang Min , Cheng Yung‐chi , Cai Wei 
Published: August 2022

AbstractZiziphus jujuba Millis the dried ripe fruit of the Rhamnaceae family; it is widely distributed in Shandong, Henan, Liaoning, and other places in China. In folk medicine, it was used to restore vital energy, as a blood tonic, and for the treatment of spleen deficiency. To date, a complete investigation of the compounds ofZ. jujubahas rarely been performed. Therefore, a reliable strategy based on UHPLC‐Q‐Exactive Orbitrap MS, combined with trace data acquisition mode (parallel reaction monitoring scanning, PRM) and multiple data processing methods, is necessary for the characterization of compounds in theZ. jujuba.Ultimately, 295 compounds, including 69 flavonoids, 60 alkaloids, 82 phenylpropanoids, 52 organic acids, and 32 other components, were identified in theZ. jujuba; of these, 270 have been reported inZ. jujubafor the first time. This study provides deep insights into the chemistry ofZ. jujubaand could be useful for further studies aimed at identifying the factors contributing to the health benefits attributed to this fruit.
Diet cost plays a key role in determining the risk of pediatric attention deficit hyperactivity disorder: Findings from a case–control study
Authors: Abbasi Khadijeh , Foshati Sahar , Mehrabani Sanaz , Ghiasvand Reza , Bagherniya Mohammad , Rouhani Mohammad Hossein 
Published: August 2022

AbstractThe aim of our study was to assess the association between diet cost and attention deficit hyperactivity disorder (ADHD) in children. This study was a case–control study conducted in Isfahan, Iran. Based on the Diagnostic and Statistical Manual of Mental Disorders‐V criteria, a total of 200 children aged 4–12 years with ADHD and 300 age‐ and sex‐matched children without ADHD, respectively, participated in case and control groups. A validated food frequency questionnaire that contained 168 food items was used to assess the dietary intake. The cost of food items was obtained from licensed markets. The food price was corrected for edible portion sizes as well as food weight changes due to cooking process. Our results indicated that diet cost per 1000 kcal was significantly lower in the case group compared with the control group (60,843.48 ± 6987.83 vs. 67,828.33 ± 8989.48 Rials, p < .01). In the crude model, a significantly lower risk of ADHD was observed in the higher quartiles of diet cost per 1000 kcal (odds ratio (OR) = 0.06; 95% confidence interval (CI) = 0.03, 0.13; p < .001). This finding remained significant, even after adjustment for potential confounders such as age, gender, body mass index (BMI), socioeconomic status (SES), and intakes of eicosapentaenoic acid (EPA), docosahexaenoic acid (DHA), and saturated fatty acids (SFA). Therefore, it seems that the risk of ADHD is inversely associated with diet cost in children. Further studies, particularly longitudinal ones, are warranted.
Activity flow mapping over probabilistic functional connectivity
Authors: Zhu Hengcheng , Huang Ziyi , Yang Yifeixue , Su Kaiqiang , Fan Mingxia , Zou Yong , Li Ting , Yin Dazhi 
Published: August 2022

AbstractEmerging evidence indicates that activity flow over resting‐state network topology allows the prediction of task activations. However, previous studies have mainly adopted static, linear functional connectivity (FC) estimates as activity flow routes. It is unclear whether an intrinsic network topology that captures the dynamic nature of FC can be a better representation of activity flow routes. Moreover, the effects of between‐ versus within‐network connections and tight versus loose (using rest baseline) task contrasts on the prediction of task‐evoked activity across brain systems remain largely unknown. In this study, we first propose a probabilistic FC estimation derived from a dynamic framework as a new activity flow route. Subsequently, activity flow mapping was tested using between‐ and within‐network connections separately for each region as well as using a set of tight task contrasts. Our results showed that probabilistic FC routes substantially improved individual‐level activity flow prediction. Although it provided better group‐level prediction, the multiple regression approach was more dependent on the length of data points at the individual‐level prediction. Regardless of FC type, we consistently observed that between‐network connections showed a relatively higher prediction performance in higher‐order cognitive control than in primary sensorimotor systems. Furthermore, cognitive control systems exhibit a remarkable increase in prediction accuracy with tight task contrasts and a decrease in sensorimotor systems. This work demonstrates that probabilistic FC estimates are promising routes for activity flow mapping and also uncovers divergent influences of connectional topology and task contrasts on activity flow prediction across brain systems with different functional hierarchies.
The effect of hospital‐physician integration on hospital costs
Authors: McCarthy Stephen , Sheehan‐Connor Damien 
Published: August 2022

AbstractThis study evaluates whether hospital costs are lower when hospitals integrate with physician practices. It addresses a common element in policy attempts to contain healthcare costs, which is to encourage greater coordination in healthcare delivery. Despite a clear trend toward greater hospital‐physician integration, there is little direct evidence about whether integration lowers hospital costs. The results in this paper show that hospital costs increase by one to three percent after hospital‐physician integration. We also do not find consistent evidence that hospital‐physician integration is associated with higher quality but potentially more costly hospital care. The modest increase in hospital costs appears to derive from an increase in outpatient visits, rather than from higher costs of inpatient care. These findings do not support the hypothesis that increased coordination between hospitals and physicians has led to lower hospital costs.
A hypothesis concerning the role of PPAR family on cardiac energetics in Adriamycin‐induced cardiomyopathy
Authors: Mohan Uma Priya , PB Tirupathi Pichiah , Kunjiappan Selvaraj , Arunachalam Sankarganesh 
Published: August 2022

AbstractAdriamycin is an effective anti‐neoplastic drug against a variety of cancer types. However, the drug causes adverse side effects in a number of organ systems. Cardiomyopathy is one of the life‐threatening side effects of Adriamycin. In the current work, we have derived a hypothesis with possible involvement of PPAR family members in the development of Adriamycin‐induced cardiomyopathy. Dysregulation of PPAR family by Adriamycin causes impairment in the transport and β‐oxidation of fatty acids, the key substrate for ATP synthesis in heart. Evidences suggest that dysregulation of PPAR family alters the recruitment of glucose transporters. Furthermore, heme oxygenase‐1 is a crucial enzyme regulating the iron homeostasis in the heart whose expression is regulated by PPAR family. Inverse relationship exists between the expression levels of PPARγ and heme oxygenase‐1. Adriamycin upregulates the expression of heme oxygenase‐1 which in turn disrupts the iron homeostasis in cardiomyocytes. Our molecular docking results show that Adriamycin has a high affinity for iron‐binding sites of heme oxygenase‐1, thereby hindering formation of iron–sulfur complex. The lack of iron–sulfur complex impairs the electron transport chain. In addition, succinate dehydrogenase subunit A is downregulated by Adriamycin. The lack of this subunit uncouples Krebs cycle from ETC. Further, lack of this subunit increases the concentration of succinate, which further alters the mitochondrial membrane potential. Overall, in the present work, we hypothesize that alteration in the expression of PPAR family members is one of the major causes of metabolic chaos and oxidative stress caused by Adriamycin during the development of cardiomyopathy.
Toxicity evaluation of main zopiclone impurities based on quantitative structure–activity relationship models and in vitro tests
Authors: Yin Jie , Wen Hairuo , Chen Hua 
Published: August 2022

AbstractToxicity evaluation of main zopiclone impurities can provide a basis for safety assessment and quality standards of zopiclone. In this study, the impurity profile of zopiclone was analyzed using forced degradation and related substances of zopiclone tablets using high‐performance liquid chromatography (HPLC). Furthermore, various quantitative structure–activity relationship (QSAR) models were used to compare the toxicity, especially genotoxicity of two main zopiclone degradation impurities, namely, impurity B and 2‐amino‐5‐chloropyridine. The predictive genotoxicity results were verified using an in vitro bacterial reverse mutation (Ames) test. Meanwhile, using zebrafish embryos as an animal model, zopiclone and its main impurities were analyzed at different concentrations, and their effects on zebrafish development, including embryonic teratogenesis and lethality, were examined. The results showed that impurity B and 2‐amino‐5‐chloropyridine were the main degradation impurities of zopiclone; the latter's content increased with increase in the solution storage time. QSAR prediction and in vitro test results confirmed that both impurity B and 2‐amino‐5‐chloropyridine were non‐mutagenic and classified in the fifth impurity category. According to ICH M7 guidelines, these could be controlled as general non‐mutagenic impurities. The relative toxicity to zebrafish embryo development was the highest for 2‐amino‐5‐chloropyridine, followed by impurity B and zopiclone, and the malformation rate and mortality of embryos were concentration dependent. In conclusion, an increase in the control limit of 2‐amino‐5‐chloropyridine is recommended when the quality standards of zopiclone materials and preparations are revised to ensure safety and quality control. The specific limit value of this impurity should be determined through further evaluation and research.
Impact of test‐enhanced learning as a study strategy: An exploratory study with first‐year dental students
Authors: Zheng Meixun , O'Brien Kenji , Cuenin Kyle , Lyon Cindy , Bender Daniel 
Published: August 2022

AbstractPurposeResearch has demonstrated that learners who practice self‐testing have superior long‐term retention compared to those rereading the material alone, a phenomenon called test‐enhanced learning. This testing effect can be leveraged by spacing out the testing practice over time, a technique called spaced repetition. In 2017, we provided dental students at the school with access to Osmosis, a web‐based platform that supports test‐enhanced learning and spaced repetition through flashcards. This exploratory study examined students’ adoption of self‐testing with flashcards and its impact on learning performance in basic sciences.MethodsParticipants were 143 first‐year predoctoral students at a dental school in the US. The platform analytics revealed the number of flashcards students answered throughout the first academic year (2019–2020). Regression analyses examined how self‐testing with flashcards impacted students’ exam scores in basic sciences. Analysis of variance (ANOVA) tests examined the difference in students’ exam performance among the non, minimal, occasional, and regular flashcard users who answered 0, 1–99, 100–499, and over 500 flashcards, respectively.ResultsStudents answered 82,766 flashcards during the year. Additionally, they created 17,973 flashcards using the platform's flashcard authoring tool. Regression analyses showed that self‐testing with flashcards correlated positively with students’ exam performance in anatomy, biochemistry, nutrition, and physiology. ANOVA results revealed a statistically significant difference in students’ exam performance in anatomy, biochemistry, and nutrition among the four groups.ConclusionsThis study is the first in dental education to examine students’ self‐testing on the Osmosis platform. Results revealed that there was widespread adoption of self‐testing with flashcards. The study provided additional evidence to support the value of self‐testing for dental students. It has practical implications of how test‐enhanced learning can be incorporated into dental education to support student learning. The study contributed to the test‐enhanced learning literature in dental education, an area that has been underexplored.
Recurrent hyperammonaemia in a patient with carbonic anhydrase VA deficiency
Authors: Stockdale Christopher , Bowron Ann , Appleton Marie , Richardson Ruth , Anderson Mark 
Published: August 2022

AbstractCarbonic anhydrase VA deficiency is a recently described inherited cause of paediatric hyperammonaemia. Most published cases describe patients with only one episode of hyperammonaemia whilst others report patients who had up to three metabolic crises with the first invariably being the most severe. We describe a patient with carbonic anhydrase VA deficiency who experienced 7 hyperammonemic episodes over a 3‐year period, up to age 5 years 9 months. These episodes did not clearly decrease in severity over time. This report expands the clinical phenotype and the age window for metabolic crises associated with this condition.
The long term vaccine‐induced anti‐SARS‐CoV‐2 immune response is impaired in quantity and quality under TNFα blockade
Authors: Geisen Ulf Martin , Rose Ruben , Neumann Franziska , Ciripoi Maria , Vullriede Lena , Reid Hayley M. , Berner Dennis Kristopher , Bertoglio Federico , Hoff Paula , Hust Michael , Longardt Ann Carolin , Lorentz Thomas , Martini Gabriela Rios , Saggau Carina , Schirmer Jan Henrik , Schubert Maren , Sümbül Melike , Tran Florian , Voß Mathias , Zeuner Rainald , Morrison Peter J. , Bacher Petra , Fickenscher Helmut , Gerdes Sascha , Peipp Matthias , Schreiber Stefan , Krumbholz Andi , Hoyer Bimba Franziska 
Published: August 2022

AbstractThe humoral immune response to severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) vaccination in patients with chronic inflammatory disease (CID) declines more rapidly with tumor necrosis factor‐α (TNF‐α) inhibition. Furthermore, the efficacy of current vaccines against Omicron variants of concern (VOC) including BA.2 is limited. Alterations within immune cell populations, changes in IgG affinity, and the ability to neutralize a pre‐VOC strain and the BA.2 virus were investigated in these at‐risk patients. Serum levels of anti‐SARS‐CoV‐2 IgG, IgG avidity, and neutralizing antibodies (NA) were determined in anti‐TNF‐α patients (n = 10) and controls (n = 24 healthy individuals; n = 12 patients under other disease‐modifying antirheumatic drugs, oDMARD) before and after the second and third vaccination by ELISA, immunoblot and live virus neutralization assay. SARS‐CoV‐2‐specific B‐ and T cell subsets were analysed by multicolor flow cytometry. Six months after the second vaccination, anti‐SARS‐CoV‐2 IgG levels, IgG avidity and anti‐pre‐VOC NA titres were significantly reduced in anti‐TNF‐α recipients compared to controls (healthy individuals: avidity: p ≤ 0.0001; NA: p = 0.0347; oDMARDs: avidity: p = 0.0012; NA: p = 0.0293). The number of plasma cells was increased in anti‐TNF‐α patients (Healthy individuals: p = 0.0344; oDMARDs: p = 0.0254), while the absolute number of SARS‐CoV‐2‐specific plasma cells 7 days after 2nd vaccination were comparable. Even after a third vaccination, these patients had lower anti‐BA.2 NA titres compared to both other groups. We show a reduced SARS‐CoV‐2 neutralizing capacity in patients under TNF‐α blockade. In this cohort, the plasma cell response appears to be less specific and shows stronger bystander activation. While these effects were observable after the first two vaccinations and with older VOC, the differences in responses to BA.2 were enhanced.
Alcohol use disorder‐associated structural and functional characteristics of the insula
Authors: Manuweera Thushini , Kisner Mallory A. , Almira Erika , Momenan Reza 
Published: August 2022

AbstractBased on our current understanding of insular regions, effects of chronic alcohol use on the insula may affect the integration of sensory‐motor, socio‐emotional, and cognitive function. There is no comprehensive understanding about these differences in individuals with alcohol use disorder that accounts for both structural and functional differences related to chronic alcohol use. The purpose of this study was to investigate these variations in both the anterior and posterior insula in persons with alcohol use disorder. We investigated insula gray matter volume, morphometry, white matter structural connectivity, and resting state functional connectivity in 75 participants with alcohol use disorder (females = 27) and 75 age‐matched healthy control participants (females = 39). Results indicated structural differences mostly in the anterior regions, while functional connectivity differences were observed in both the anterior and posterior insula in those with alcohol use disorder. Differing connectivity was observed with frontal, parietal, occipital, cingulate, cerebellar, and temporal brain regions. While these results align with prior studies showing differences primarily in anterior insular regions, they also contribute to the existing literature suggesting differences in anterior insular connectivity with brain regions shown to be engaged during higher cognitive and emotional tasks.