bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fabricating Dual‐Atom Iron Catalysts for Efficient Oxygen Evolution Reaction: A Heteroatom Modulator Approach
Authors: Wei Yong‐Sheng , Sun Liming , Wang Miao , Hong Jinhua , Zou Lianli , Liu Hongwen , Wang Yu , Zhang Mei , Liu Zheng , Li Yinwei , Horike Satoshi , Suenaga Kazu , Xu Qiang 
Published: June 2020

AbstractUnderstanding the thermal aggregation behavior of metal atoms is important for the synthesis of supported metal clusters. Here, derived from a metal–organic framework encapsulating a trinuclear FeIII2FeII complex (denoted as Fe3) within the channels, a well‐defined nitrogen‐doped carbon layer is fabricated as an ideal support for stabilizing the generated iron nanoclusters. Atomic replacement of FeII by other metal(II) ions (e.g., ZnII/CoII) via synthesizing isostructural trinuclear‐complex precursors (Fe2Zn/Fe2Co), namely the “heteroatom modulator approach”, is inhibiting the aggregation of Fe atoms toward nanoclusters with formation of a stable iron dimer in an optimal metal–nitrogen moiety, clearly identified by direct transmission electron microscopy and X‐ray absorption fine structure analysis. The supported iron dimer, serving as cooperative metal–metal site, acts as efficient oxygen evolution catalyst. Our findings offer an atomic insight to guide the future design of ultrasmall metal clusters bearing outstanding catalytic capabilities.
Oligomeric Cucurbituril Complexes: from Peculiar Assemblies to Emerging Applications
Authors: Yang Xue , Wang Ruibing , Kermagoret Anthony , Bardelang David 
Published: June 2020

AbstractProteins are an endless source of inspiration. By carefully tuning the amino‐acid sequence of proteins, nature made them evolve from primary to quaternary structures, a property specific to protein oligomers and often crucial to accomplish their function. On the other hand, the synthetic macrocycles cucurbiturils (CBs) have shown outstanding recognition properties in water, and a growing number of (host)n:(guest)n supramolecular polymers involving CBs have been reported. However, the burgeoning field of discrete (n:n) host:guest oligomers has just started to attract attention. While 2:2 complexes are the major oligomers, 3:3 and up to 6:6 oligomers have been described, some associated with emerging applications, specific to the (n:n) arrangements. Design rules to target (n:n) host:guest oligomers are proposed toward new advanced host:guest systems.
Zero‐fluoroscopy catheter ablation of premature ventricular contractions at left coronary cusp near left main coronary artery
Authors: Santoro Amato , Baiocchi Claudia , D’Ascenzi Flavio , Mondillo Sergio , Valente Serafina 
Published: June 2020

AbstractThe left coronary cusp is the commonest site of origin for coronary cusp PVC. Catheter ablation without fluoroscopy is highly effective, feasible, and safe but it could be related to risks because of proximity to the coronary arteries. The use of ICE integration allowed an improvement in the safety and efficiency of these procedures.
Conducting Redox Polymer as Organic Anode Material for Polymer‐Manganese Secondary Batteries
Authors: Oka Kouki , Löfgren Rebecka , Emanuelsson Rikard , Nishide Hiroyuki , Oyaizu Kenichi , Strømme Maria , Sjödin Martin 
Published: June 2020

AbstractManganese‐based aqueous batteries have attracted significant attention due to their earth‐abundant components and low environmental burden. However, state‐of‐the‐art manganese‐zinc batteries are poorly rechargeable, owing to dendrite formation on the zinc anode. Organic materials could provide a safe and sustainable replacement. In the present work, a conducting redox polymer (CRP) based on a trimer of EPE (E=3,4‐ethylenedioxythiophene; P=3,4‐propylenedioxythiophene) and a naphthoquinone (NQ) pendant group is used as anode in polymer‐manganese secondary batteries. The polymer shows stable redox conversion around+0.05 V vs. Ag/AgCl, and fast kinetics that involves proton cycling during pendant group redox conversion. For the first time, a CRP‐manganese secondary battery was fabricated with pEP(NQ)E as the anode, manganese oxide as the cathode, and manganese‐containing acidic aqueous solution as the electrolyte. This battery yielded a discharge voltage of 1.0 V and a discharging capacity of 76 mAh/ganode over >50 cycles and high rate capabilities (up to 10 C).
Recent Advances in Transition Metal Phosphide Electrocatalysts for Water Splitting under Neutral pH Conditions
Authors: Kim Byeongyoon , Kim Taekyung , Lee Kwangyeol , Li Jinghong 
Published: June 2020

AbstractConsiderable attention on sustainable clean energy resources has led to the development of a plethora of catalytic materials, specifically geared toward water electrolysis. Among various developed catalysts, noble‐metal‐based electrocatalysts have shown promising performances for oxygen and hydrogen evolution reactions (OER and HER). However, their high price and scarcity have always been roadblocks to the commercialization of the water‐splitting technology. Recently, transition metal phosphides (TMP) and phosphates (TMPi) have emerged as alternative electrocatalysts for the OER and HER under neutral conditions; water splitting under a neutral conditions eco‐friendly and free of the corrosion issues that are present for acidic or alkaline conditions. Herein, we present the recent progress in TMP(i) based water splitting under neutral conditions, particularly focusing on the synthetic strategies and design concepts for improved catalytic performances. Challenges and outlook for further development of these promising catalysts are also discussed.
Hexagonal La2O3 Nanocrystals Chemically Coupled with Nitrogen‐Doped Porous Carbon as Efficient Catalysts for the Oxygen Reduction Reaction
Authors: Zhao Jing , Liu Jingjun , Jin Chun , Wang Nan , Wang Feng 
Published: June 2020

AbstractThe construction of nano‐scale hybrid materials with a smart interfacial structure, established by using rare earth oxides and carbon as building blocks, is essential for the development of economical and efficient catalysts for oxygen reduction reactions (ORRs). In this work, hexagonal La2O3 nanocrystals on a nitrogen‐doped porous carbon (NPC) derived from crop radish, served as building bricks, are prepared by chemical precipitation and then calcination at elevated temperatures. The obtained La2O3/NPC hybrid exhibits a very high ORR activity with a half‐wave potential of 0.90 V, exceeding that of commercial Pt/C (0.83 V). Both DFT theoretical and experimental results have verified that the significantly enhanced catalytic performance is ascribed to the formation of the C−O−La covalent bonds between carbon and La2O3. Through the covalent bonds, electrons can transfer from the carbon to La2O3 and occupy the unfilled eg orbital of the La2O3 phase. This results in the accelerated adsorption of active oxygen and the facilitated desorption of the surface hydroxides (OHad−), thereby promoting the ORR over the catalyst.
Total Synthesis and Antimycobacterial Activity of Ohmyungsamycin A, Deoxyecumicin, and Ecumicin
Authors: Hawkins Paige M. E. , Tran Wendy , Nagalingam Gayathri , Cheung Chen‐Yi , Giltrap Andrew M. , Cook Gregory M. , Britton Warwick J. , Payne Richard J. 
Published: June 2020

AbstractThe ohmyungsamycin and ecumicin natural product families are structurally related cyclic depsipeptides that display potent antimycobacterial activity. Herein the total syntheses of ohmyungsamycin A, deoxyecumicin, and ecumicin are reported, together with the direct biological comparison of members of these natural product families against Mycobacterium tuberculosis (Mtb), the etiological agent of tuberculosis (TB). The synthesis of each of the natural products employed a solid‐phase strategy to assemble the linear peptide precursor, involving a key on‐resin esterification and an optional on‐resin dimethylation step, before a final solution‐phase macrolactamization between the non‐proteinogenic N‐methyl‐4‐methoxy‐l‐tryptophan amino acid and a bulky N‐methyl‐l‐valine residue. The synthetic natural products possessed potent antimycobacterial activity against Mtb with MIC90’s ranging from 110–360 nm and retained activity against Mtb in Mtb‐infected macrophages. Deoxyecumicin also exhibited rapid bactericidal killing against Mtb, sterilizing cultures after 21 days.
Bioanalytical chiral chromatographic technique and docking studies for enantioselective separation of meclizine hydrochloride: Application to pharmacokinetic study in rabbits
Authors: Raikar Prachi , Gurupadayya Bannimath , Mandal Subhankar P. , Narhari Rishitha , Subramanyam Sripuram , Srinivasu Gunnam , Rajan Surulivel , Saikumar Matcha , Koganti Sairam 
Published: June 2020

AbstractEnantiomeric resolution and molecular docking studies of meclizine hydrochloride on polysaccharide‐based chiral stationary phase comprising cellulose tris(4‐methylbenzoate) chiral selector (150 × 4.6 mm, 3.0 μm) were presented. The mobile phase used was acetonitrile:10mM ammonium bicarbonate (95:05, v/v). The developed technique was used to perform the enantioselective assay of meclizine hydrochloride in its marketed formulation. The elution order of meclizine hydrochloride enantiomers was determined by docking studies. Target compound was extracted from rabbit plasma using protein precipitation technique, followed by development of bioanalytical chiral separation method using the same matrix. Application of the method to determine pharmacokinetic parameters of meclizine hydrochloride enantiomers was performed using Phoenix WinNonlin 8.1 software. The results demonstrated stereoselective disposition of meclizine hydrochloride enantiomers in rabbits.
Vitamin D intake is associated with decreased risk of immune checkpoint inhibitor‐induced colitis
Authors: Grover Shilpa , Dougan Michael , Tyan Kevin , Giobbie‐Hurder Anita , Blum Steven M. , Ishizuka Jeffrey , Qazi Taha , Elias Rawad , Vora Kruti B. , Ruan Alex B. , Martin‐Doyle William , Manos Michael , Eastman Lauren , Davis Meredith , Gargano Maria , Haq Rizwan , Buchbinder Elizabeth I. , Sullivan Ryan J. , Ott Patrick A. , Hodi F. Stephen , Rahma Osama E. 
Published: June 2020

BackgroundThere is a lack of predictive markers informing on the risk of colitis in patients treated with immune checkpoint inhibitors (ICIs). The aim of this study was to identify potential factors associated with development of ICI colitis.MethodsWe performed a retrospective analysis of melanoma patients at Dana‐Farber Cancer Institute who received PD‐1, CTLA‐4, or combination ICIs between May 2011 to October 2017. Clinical and laboratory characteristics associated with pathologically confirmed ICI colitis were evaluated using multivariable logistic regression analyses. External confirmation was performed on an independent cohort from Massachusetts General Hospital.ResultsThe discovery cohort included 213 patients of whom 37 developed ICI colitis (17%). Vitamin D use was recorded in 66/213 patients (31%) before starting ICIs. In multivariable regression analysis, vitamin D use conferred significantly reduced odds of developing ICI colitis (OR 0.35, 95% CI 0.1–0.9). These results were also demonstrated in the confirmatory cohort (OR 0.46, 95% CI 0.2–0.9) of 169 patients of whom 49 developed ICI colitis (29%). Pre‐treatment neutrophil‐to‐lymphocyte ratio (NLR) ≥5 predicted reduced odds of colitis (OR 0.34, 95% CI 0.1–0.9) only in the discovery cohort.ConclusionsThis is the first study to report that among patients treated with ICIs, vitamin D intake is associated with reduced risk for ICI colitis. This finding is consistent with prior reports of prophylactic use of vitamin D in ulcerative colitis and graft‐versus‐host‐disease. This observation should be validated prospectively in future studies.
Decision support based on optimized data mining techniques: Application to mobile telecommunication companies
Authors: Berkani Lamia 
Published: June 2020

SummaryOne of the most important challenges of African countries is the effective use of information and communication technologies and its generalization in the different sectors (education, economic, political, and so on). This will have a great impact on different aspects of society and economic activities by making everyday procedures easier and more efficient. In this same context, we are interested in this article by the proposition of a decision support framework based on the use of data mining (DM) techniques. Using DM in e‐government is the process of translating data to appropriate knowledge which can be useful for decision‐making. We propose a framework whose goal is the generation of association rules (ARs) for better decision‐making. This framework includes two approaches: (1) the first approach applies different DM algorithms and (2) the second approach optimizes the first one by considering two different metaheuristics: the Genetic algorithm and the Cuckoo search algorithm. A new relevance measure called “Weighted Dominance” has been considered to evaluate the quality of the generated ARs. Extensive experiments have been conducted using different datasets. The results obtained demonstrated the effectiveness of combining DM and optimization algorithms compared to the first approach. Finally, a case study related to an Algerian mobile phone company has been presented illustrating the use of our framework in the decision‐making process.
Contrast‐enhanced CT radiomics for preoperative evaluation of microvascular invasion in hepatocellular carcinoma: A two‐center study
Authors: Zhang Xiuming , Ruan Shijian , Xiao Wenbo , Shao Jiayuan , Tian Wuwei , Liu Weihai , Zhang Zhao , Wan Dalong , Huang Jiacheng , Huang Qiang , Yang Yunjun , Yang Hanjin , Ding Yong , Liang Wenjie , Bai Xueli , Liang Tingbo 
Published: June 2020

AbstractBackgroundThe present study constructed and validated the use of contrast‐enhanced computed tomography (CT)‐based radiomics to preoperatively predict microvascular invasion (MVI) status (positive vs negative) and risk (low vs high) in patients with hepatocellular carcinoma (HCC).MethodsWe enrolled 637 patients from two independent institutions. Patients from Institution I were randomly divided into a training cohort of 451 patients and a test cohort of 111 patients. Patients from Institution II served as an independent validation set. The LASSO algorithm was used for the selection of 798 radiomics features. Two classifiers for predicting MVI status and MVI risk were developed using multivariable logistic regression. We also performed a survival analysis to investigate the potentially prognostic value of the proposed MVI classifiers.ResultsThe developed radiomics signature predicted MVI status with an area under the receiver operating characteristic curve (AUC) of .780, .776, and .743 in the training, test, and independent validation cohorts, respectively. The final MVI status classifier that integrated two clinical factors (age and α‐fetoprotein level) achieved AUC of .806, .803, and .796 in the training, test, and independent validation cohorts, respectively. For MVI risk stratification, the AUCs of the radiomics signature were .746, .664, and .700 in the training, test, and independent validation cohorts, respectively, and the AUCs of the final MVI risk classifier‐integrated clinical stage were .783, .778, and .740, respectively. Survival analysis showed that our MVI status classifier significantly stratified patients for short overall survival or early tumor recurrence.ConclusionsOur CT radiomics‐based models were able to predict MVI status and MVI risk of HCC and might serve as a reliable preoperative evaluation tool.
Discrete element simulation for investigating fragmentation mechanism of hard rock under ultrasonic vibration loading
Authors: Tang Qiongqiong , Zhao Dajun , Zhou Yu , Zhang Zengzeng 
Published: June 2020

AbstractAssisted ultrasonic vibration technique can significantly improve the efficiency of hard rock drilling in petroleum and mineral engineering. In this study, to determine the fragmentation mechanism of rocks under ultrasonic vibration, numerical simulations using the discrete element method (DEM) were performed. A novel flat‐joint model (FJM), combined with an ultra‐high‐frequency loading boundary condition, was used to model the damage process of the hard rock under ultrasonic vibration loading. The numerical results demonstrated that the evolution of local strain and fragmentation were in good agreement with the experimental results. Based on the established model, the influence of loading parameters was investigated. Furthermore, by analyzing the development of the full strain field, crack orientations, and crack distribution, the fragmentation mechanism was revealed for the rock under ultrasonic vibration. Under ultra‐high‐frequency loading, the rock deformed in a heterogeneous manner and produced both compressive and tensile strain zones. The compressive zones were mainly distributed in the fringe and tensile zones in the top center. The generated tensile cracks caused by compression and tension in these two strain zones led to the rock failure.
Rapid decrease of soil erosion rates with soil formation and vegetation development in periglacial areas
Authors: Musso Alessandra , Ketterer Michael E. , Greinwald Konrad , Geitner Clemens , Egli Markus 
Published: June 2020

AbstractHigh mountainous areas are geomorphologically active environments which are strongly shaped by redistribution of sediments and soils. With the projected climate warming in the twenty‐first century and the continued retreat of glaciers, the area of newly exposed, highly erodible sediments and soils will increase. This presents a need to better understand and quantify erosion processes in young mountainous soils, as an increase in erodibility could threaten human infrastructure (i.e. hydroelectric power, tourist installations and settlements). While soil development is increasingly well understood and quantified, a coupling to soil erosion rates is still missing. The aim of this study was, therefore, to assess how soil erosion rates change with surface age. We investigated two moraine chronosequences in the Swiss Alps: one in the siliceous periglacial area of Steingletscher (Sustenpass), with soils ranging from 30 a to 10 ka, and the other in the calcareous periglacial area of Griessgletscher (Klausenpass) with surfaces ranging from age of 110 a to 13.5 ka. We quantified the erosion rates using the 239+240Pu fallout radionuclides and compared them to physical and chemical soil properties and the vegetation coverage. We found no significant differences between the two parent materials. At both chronosequences, the erosion rates were highest in the young soils (on average 5−10 t ha‐1 a‐1 soil loss). Erosion rates decreased markedly after 3−5 ka of soil development (on average 1−2.5 t ha‐1 a‐1 soil loss) to reach a more or less stable situation after 10−14 ka (on average 0.3–2 t ha‐1 a‐1). Climate change not only causes glacier retreat, but also increased sediment dynamics. Depending on the relief and vegetational development, it takes up to at least 10 ka to reach soil stability. The establishment of a closed vegetation cover with dense root networks seems to be the controlling factor in the reduction of soil erodibility. © 2020 John Wiley & Sons, Ltd.
Does attention‐deficit hyperactivity disorder medication reduce entrepreneurship?
Authors: Peltonen Juhana , Johansson Edvard , Wincent Joakim 
Published: June 2020

AbstractAttention‐deficit hyperactivity disorder (ADHD) is a highly inheritable condition with a rather stable prevalence over time and geography, and it is associated with a broad range of negative life outcomes. Increasing knowledge on the condition has led to a growing trend of dampening ADHD symptoms through medication. Although this development has led to many positive outcomes, the broader societal implications are still poorly understood. In particular, person‐level studies suggest that ADHD‐like behavior may possess some advantages for engaging in entrepreneurship and the initiation of new businesses, which is considered a key activity for economic development. Using recent panel data from 11 countries and one special administrative region (SAR), we investigate if the increasing use of ADHD medication in adults is associated with an unintended outcome of reducing entrepreneurship. We find that a roughly one unit increase in the prevalence of adult ADHD medication is associated with a one unit decrease in limited liability company registrations per working age population. In practical terms, the effect of a one within‐country/SAR standard deviation increase of adult ADHD medication prevalence corresponds to a decrease in new business formation of 20% of its mean in the sample.
Trends in the proportionate mortalities attributed to noncommunicable diseases in sub‐Saharan Africa for the period 2000 to 2016
Authors: Duah Henry O. , Agbadi Pascal , Amankwa Charles Enyaah , Adomako Isaac , Owusu Benson 
Published: June 2020

SummaryNoncommunicable diseases (NCDs) remain a growing global health issue and sub‐Saharan Africa (SSA) is no exception. Using secondary data obtained from the World Bank on 48 SSA countries, we describe the trends in the proportionate mortalities attributed to NCDs in SSA between 2000 and 2016. The baseline proportionate mortalities attributed to NCDs in SSA increased from 22.49% in 2000 to 33.69% in 2016, representing about 11% increase. The trend was replicated across the low‐, middle‐, and high‐income countries in SSA. The highest change in the NCD mortalities in low‐income SSA countries was seen in Eritrea where NCD mortalities increased from 19.3% in the year 2000 to 45.2% in 2016. In Rwanda, it rose from 24.8% to 44% during the same period. Ghana, a lower‐middle‐income country, also witnessed an increase from 27.3% in 2000 to 42.7% in 2016. The general increasing trend in the burden of NCD mortalities in SSA implies the need for higher prioritization of NCD prevention and control initiatives. There is a need for a greater contribution of nontraditional stakeholders in health through a multi‐sectoral approach. We also recommend integrating NCD prevention and control strategies into existing public health structures being used for communicable disease control.
Unavailability of paid sick leave among parents is a barrier for children's utilization ofnonemergencyhealth services: Evidence from the National Health Interview Survey
Authors: Seixas Brayan V. , Macinko James 
Published: June 2020

SummaryObjectiveTo assess the association between availability of paid sick leave among parents and children's use of several distinct types of nonurgent health services and emergency care.MethodsUsing pooled 2013 to 2017 data from the National Health Interview Survey (NHIS), we created dyadic units of observation linking adults with their children (n = 21 235). Descriptive statistics, logistic regressions for binary outcomes, and regular and zero‐inflated negative binomial regressions for count outcomes assessed the relationship between parental coverage by paid sick leave benefits and 12 dependent variables related to health care utilization. Regression analyses controlled for a set of child, parent, and family covariates.ResultsOverall, 58.3% of individuals in our sample reported having paid sick leave in their current or latest job. There are substantial disparities in availability of paid sick leave in terms of parent sex, race, education, and income. Controlling for covariates, the odds of children with at least one parent with access to paid sick leave having any visit to a medical office in the past 12 months are 27% higher than for children whose parents do not have this benefit. Similar positive associations were observed for general doctor visit (OR = 1.18, 95%CI: 1.05‐1.32), mental health professional visit (OR = 1.19, 95%CI: 1.01‐1.42), and receipt of flu vaccination (OR = 1.21, 95%CI: 1.11‐1.33). There was no statistically significant association with emergency room use, once covariates were controlled.ConclusionsAvailability of paid sick leave among parents is associated with increased children's utilization of nonemergency health services and primary care.