bluuebunny/crossref_metadata_2025_split huggingface dataset:
Opuntia ficus‐indica (L.) Mill. fruit as source of betalains with antioxidant, cytoprotective, and anti‐angiogenic properties
Authors: Smeriglio Antonella , Bonasera Serena , Germanò Maria Paola , D'Angelo Valeria , Barreca Davide , Denaro Marcella , Monforte Maria Teresa , Galati Enza Maria , Trombetta Domenico 
Published: March 2019

The aim of this work was to investigate the phytochemical profile and biological properties of different colours of betalain cactus pear extracts, evaluating their antioxidant, cytoprotective, and anti‐angiogenic properties by cell‐free, cell‐based, and in vivo assays. A QuEChERS extraction method followed by RP‐LC‐DAD‐MS/MS analysis showed that indicaxanthin and betanin were the main compounds (≥94.32% and ≥96.95%, respectively). Orange cactus pear extracts exert the best antioxidant activity in all assays carried out, in particular into ORAC (17,352.55 ± 987.407 mg trolox equivalents/100 g dry weight) and β‐carotene bleaching (60.35%) assays. The red ones, instead, showed the best cytoprotective activity decreasing the cell mortality, LDH, and Caspase‐3 release ranging from 4.0 to 55%.According to antioxidant results, the orange cactus pear extracts showing also the highest anti‐angiogenic activity (IC50 19.31 μg/ml), followed by the red (IC50 23.55 μg/ml) and the yellow ones (IC50 33.97 μg/ml). In light of the results and correlation analysis, the behaviour of these molecules varies a lot according to their structure and physicochemical features and synergistic activity between betalain classes may be postulated; so the plant complex could be of greater interest compared with the isolated molecules for potential nutraceutical and pharmaceutical uses.
Different mutual positions of double bonds in open carbon chains and corresponding information from magnetically induced current densities
Authors: Mammino Liliana , Alvarez‐Thon Luis 
Published: March 2019

AbstractMagnetically induced current densities have been extensively utilized to investigate aromaticity. However, an applied external magnetic field induces a current in all chemical bonds. The present work investigates the values and patterns of magnetically induced current densities in open hydrocarbon chains containing two or more CC double bonds, considering the three possibilities for the mutual positions of the double bonds (conjugated, isolated, and consecutive) and comparing the corresponding current patterns. The patterns for chains containing three conjugated double bonds are also compared with the patterns in the aromatic benzene ring. The study highlights different current patterns for the three categories of double‐bonds arrangements. The differences can be interpreted in terms of presence or absence of electron delocalization (present only in the case of conjugated double bonds) and, for consecutive double bonds, also in terms of the mutual perpendicularity of the π orbitals of adjacent double bonds.
Ionisation bias undermines the use of matrix‐assisted laser desorption/ionisation for estimating peptide deamidation: Synthetic peptide studies demonstrate electrospray ionisation gives more reliable response ratios
Authors: Simpson Joanna P. , Fascione Martin , Bergström Ed , Wilson Julie , Collins Matthew J. , Penkman Kirsty E.H. , Thomas‐Oates Jane 
Published: March 2019

RationaleAlthough mass spectrometry (MS) is routinely used to determine deamination in peptide mixtures, the effects of the choice of ionisation source have not yet been investigated. In particular, matrix‐assisted laser desorption/ionisation (MALDI) has become a popular tool with which to measure levels of glutamine deamidation in ancient proteins. Here we use model synthetic peptides to rigorously compare MALDI and electrospray ionisation (ESI).MethodsWe used two synthetic peptides, with glutamine (Q) in one substituted for glutamic acid (E) in the other, to investigate the suitability of MALDI and ESI sources for the assessment of deamidation in peptides using MS. We also compared measurements of the same Q‐ and E‐containing peptide mixtures using two different mass analysers (time‐of‐flight (TOF) and Fourier transform ion cyclotron resonance (FT‐ICR)).ResultsWhen standard mixtures of the Q‐ and E‐containing peptides were analysed using MALDI, under‐representation of the E‐containing peptide was observed. This observation was consistent between analyses carried out using either TOF or FT‐ICR‐MS. When the same mixtures were analysed using ESI FT‐ICR‐MS, no ionisation bias was observed.ConclusionsMALDI may not be a suitable ionisation method for the determination of deamidation in peptide mixtures. However, ESI was successfully used to determine the ratio in known mixtures of Q‐ and E‐containing peptides. These preliminary observations warrant further investigation into ionisation bias when measuring deamidation in other peptide sequences.
Towards sustainability‐oriented decision making: Model development and its validation via a comparative case study on building construction methods
Authors: Liu Siyu , Qian Shunzhi 
Published: March 2019

AbstractIn order to facilitate the shift towards sustainability in the building industry, development of building‐specific sustainability assessment tools that evaluate and integrate related environmental and socioeconomic impacts is needed. Existing assessment tools mainly focus on environmental and economic issues and give limited consideration on social sustainability. This study fills this gap through proposing an integrated building‐specific sustainability assessment model. This model was developed based on a conceptual model of life cycle sustainability assessment (LCSA), which is theoretically a combination of environmental life cycle assessment, life cycle cost analysis, and social life cycle assessment. An integrated AHP‐ELECTRE approach was adopted to provide a logical backbone for the model. This LCSA model is demonstrated through a case study to choose the best alternative regarding sustainability from three structural designs, that is, modular construction‐based, semiprefabricated, and conventional designs. Results show that semiprefabricated design is the best option in the context of this study.
The effects of India and China on the sustainability of palm oil production in Indonesia: Towards a better understanding of the dynamics of regional sustainability governance
Authors: Kadarusman Yohanes Berenika , Pramudya Eusebius Pantja 
Published: March 2019

AbstractThere is a growing awareness and interest among scholars of the important role China and India can play in governing globalisation of economy. Recent literature has tended to emphasise the divergent development outcomes of producer and supplier countries engaged in value chains led by China and India. The different market preferences and legitimacy of private‐driven governance of China and India from developed economies such as the European Union and the United States bring about unsustainable development of countries supplying for China and India. Taking empirical evidence from Indonesian palm oil industry, this paper argues, on the contrary, that Indonesian palm oil producers keep commitments to progress towards sustainable production despite the rising importance of India, China, and other Global South economies as buyers and consumers along with the European Union. The Government of Indonesia also takes initiatives to facilitate the palm oil producers to reach a socially optimum sustainability over time. Buyers of China and India tend to require less restrictive sustainability standards of palm oil production than the European Union, but this is a matter of a temporal dimension of their domestic public interest and government policy priority on sustainability governance. The implication for research on sustainability governance in the Global South‐driven regional value chain is that attention should be paid to the lead of producers and their nation‐state in driving the value chains towards sustainable production and supply.
Stabilization of Highly Conductive Lithium Argyrodites by Means of Lithium Substitution: The Case of Li6Fe0.5PS6
Authors: Schneider Holger , Sedlmaier Stefan J. , Du Hui , Kelley Tracy , Leitner Klaus , ter Maat Johan , Scordilis‐Kelley Chariclea , Mudalige Anoma , Kulisch Jörn , Schneider Ling 
Published: March 2019

AbstractAll‐solid‐state‐batteries (ASSB) are promising candidates for next generation lithium batteries providing high energy density and safety levels. Their success crucially depends on the properties of the available solid electrolyte materials, ideally offering sufficient conductivities in combination with stability against decomposition over a large electrochemical window. Therefore, the search for solid electrolytes with novel compositions remains of high interest. In this work we present a strategy to stabilize highly conductive lithium argyrodites by means of lithium substitution. This is different from the previously described possibilities to obtain stable structures by either substituting phosphorous or sulfide anions in the parent compound Li7PS6. This approach offers access to a new array of solid electrolyte candidates with an argyrodite‐type crystal structure. Conductivities of up to 1.4⋅10−4 S/cm can be obtained for Fe‐substituted materials of general composition Li7‐2xFexPS6.
Adsorption of DNA Bases on Two‐Dimensional Boron Sheets
Authors: Sihag Amita , Mallajosyula Sairam S. 
Published: March 2019

AbstractUtilizing two‐dimensional (2D) sheets for DNA fingerprinting applications is an active field of research, with extensive research being carried out on graphene, h‐BN and transition metal dichalcogenides. In this theoretical study we propose the newly discovered 2D boron sheets (α, α1 and β1 sheets) as a promising adsorbate material for DNA fingerprinting applications. The relatively high binding energies of the DNA bases Adenine (A), thymine (T), guanine (G) and cytosine (C) and the DNA base pairs A:T and G:C on the sheets suggest stabilization of the DNA constructs on these sheets. The stabilization energies were found to be higher in comparison with graphene sheets. The stabilization of the adsorbed nucleobases were found to be mediated by Van‐der Waals interaction, with no direct chemical bond being formed between the DNA bases and the sheets, similar to the scenario in graphene and h‐BN sheets. Physisorption of the DNA bases was also reflected in the relatively small changes in the work function after adsorption.
Halogen⋅⋅⋅π Interactions in Supramolecular Architecture of 1D Coordination Polymers and Their Electrical Conductance
Authors: Islam Sakhiul , Datta Joydeep , Maity Suvendu , Dutta Basudeb , Ahmed Faruk , Ghosh Prasanta , Ray Partha Pratim , Mir Mohammad Hedayetullah 
Published: March 2019

AbstractTwo isotypical Cd(II) based one‐dimensional coordination polymers (1D CPs) [Cd2(p‐clba)4(bpy)2]⋅(C2H5OH) (1) and [Cd2(p‐brba)4(bpy)2]⋅(C2H5OH), (2) (H2p‐clba=para‐chlorobenzoic acid, H2p‐brba=para‐bromobenzoic acid and bpy=4,4′‐bipyridine) have been synthesized and characterized by X‐ray structure analysis. In the solid‐state strcuture, both the compounds undergo X⋅⋅⋅п (X=Cl or Br) interactions to generate two‐dimensional (2D) supramolecular architectures. Here, due to the larger size and more polarisability of Br atom, Br⋅⋅⋅п interaction is stronger than Cl⋅⋅⋅п, which is accounted for the stronger interchain interactions in 2 as compared to 1. This is depicted in the observed electrical conductivity of the compounds. The compound 2 with stronger interchain interactions shows better charge transport and hence, increasing conductivity. Moreover, band gap of the CPs has been obtained by DFT computation, which also supports the progression of conductivity.
Coincidental correctness in the Defects4J benchmark
Authors: Abou Assi Rawad , Trad Chadi , Maalouf Marwan , Masri Wes 
Published: March 2019

SummaryCoincidental correctness (CC) arises when a defective program produces the correct output despite the fact that the defect within was exercised. Researchers have recognized the negative impact of CC, and the authors have previously conducted a study demonstrating its prevalence in test suites. However, that study was limited to system tests, and small subjects seeded with artificial defects. In this paper, we conduct a wider scope study of CC that addresses the following research questions in the context of theDefects4Jbenchmark. RQ1: Is CC prevalent in Defects4J? RQ2: Is CC affected by the testing levels in Defects4J? RQ3: Do CC tests induce peculiar infection paths in Defects4J? Furthermore, we useJTidyandNanoXMLto address the following question. RQ4: Are the infections likely to be nullified within or outside the buggy method? To answer RQ1, we manually injected two code checkers for each of the 395Defects4Jdefects: (i) a weak checker that detects weak CC tests by monitoring whether the defect was reached; and (ii) a strong checker that detects strong CC tests by monitoring whether the defect was reached and the program has transitioned into an infectious state. Our results showed that CC is prevalent inDefects4J, as we observed 38.1× more strong CC tests than failing tests and 60.5× more weak CC tests than failing tests. Testing has traditionally been classified into several levels that include unit, module, integration, system, and acceptance. Meanwhile, the test cases inDefects4Jare not classified into any of the aforementioned testing levels. In addition, the boundaries between such levels are not clear because of the lack of a clear universal definition. Therefore, in order to answer RQ2, we derive the testing level of a test case from its method coverage information; specifically, we base it on the number and frequency of execution of the methods it covers. Our results showed that CC is present at all testing levels, but is more prevalent in high testing levels than in low testing levels. To answer RQ3, we contrasted the characteristics of the infection propagation paths induced by theDefects4Jfailing tests to those induced by the strong CC tests. We observed that the paths induced by the CC tests (i) were considerably longer on average and (ii) comprised a higher number of conditional, modulo, multiplication, division, and invocation statements. Finally, to answer RQ4, which relates to RQ2, we performed an experiment involvingJTidy,NanoXML, and their associated high‐level test suites. We used code checkers to determine whether, in the case of strong CC, the infections were nullified before exiting the buggy function or afterward. All of our observations showed that the infections were nullified after exiting the buggy function. © 2019 John Wiley & Sons, Ltd.
Transvaginal ultrasound probes are human papillomavirus‐free following low‐level disinfection: cross‐sectional multicenter survey
Authors: Lucet J.‐C. , Heard I. , Roueli A. , Lafourcade A. , Mandelbrot L. , Estellat C. , Dommergues M. ,   the PREEV Study Group
Published: March 2019

ABSTRACTObjectivesTo assess the frequency of detection of high‐risk human papillomavirus (hrHPV) on transvaginal ultrasound (TVS) probes and keyboards and evaluate operator compliance with national recommendations for prevention of cross‐infection during TVS.MethodsThis was a multicenter observational survey involving 46 public and private centers, in the Paris region of France, in which at least five consecutive TVS examinations were performed per day. We audited 676 TVS procedures. We recorded preventive hygiene actions undertaken by the operator at three stages: (1) during TVS; (2) during probe disinfection; and (3) during preparation of the probe for the next TVS. After probe disinfection, we collected one sample from the bare probe and one from the ultrasound keyboard; following probe preparation for the next examination, an additional sample was obtained from the covered probe. The samples were tested for presence of hrHPV DNA using the Cobas® 4800 System.ResultsWe did not detect hrHPV DNA in samples collected from uncovered or covered probes (0%; 95% CI, 0.00–0.55%). Keyboard samples were positive for hrHPV in two cases (0.3%; 95% CI, 0.04–1.07%). During TVS, the operator avoided touching the keyboard with a hand that had touched the patient's vulva in 86% of cases and held the probe with a gloved hand in 68%. Before probe disinfection, the operator wore new gloves, or performed hand disinfection in 8% of cases. The probe disinfection technique used was adequate in 87% of cases, not performed at all in 12% and insufficient in 1%. Before preparing the probe for the next scan, the operators disinfected their hands or used new gloves in 81% of cases. The probe cover and the coupling gel used complied with recommendations in 98% and 46% of cases, respectively. Of the seven preventive hygiene actions recommended in national guidelines, all were performed in 2%, three to six in 95% and two in 3% of observations. In four (9%) centers, disinfection was not performed in over half the observations.ConclusionsNo evidence of hrHPV DNA was found on TVS probes and probe covers following low‐level disinfection, despite suboptimal compliance with hygiene guidelines. Routine TVS practice could be made easier and safer with a global approach to probe disinfection and hand hygiene. Copyright © 2019 ISUOG. Published by John Wiley & Sons Ltd.
Fetal cardiac findings and hemodynamic changes associated with severe lower urinary tract obstruction in utero
Authors: Cohen J. , Levasseur S. , Simpson L. , Miller R. , Freud L. 
Published: March 2019

ABSTRACTObjectivesTo describe fetal echocardiographic findings associated with lower urinary tract obstruction (LUTO) and to compare anatomic and hemodynamic measurements between fetuses with LUTO and gestational age (GA)‐matched controls, with an emphasis on quantitative indices of diastolic function and cardiac output.MethodsThis was a retrospective cohort study of fetuses diagnosed with severe LUTO with giant bladder, which underwent at least one fetal echocardiogram at our center between January 2005 and June 2018. Fetuses with major congenital heart disease were excluded. Control fetuses did not have any structural or functional abnormalities and were GA‐matched to the LUTO fetuses based on the time of the first fetal echocardiogram. Cardiac anatomy and hemodynamic measurements were compared between fetuses with LUTO and controls. In infants with LUTO, serial fetal and postnatal echocardiographic data were assessed, when available, and clinical outcomes were reviewed.ResultsTwenty‐six fetuses with LUTO and at least one fetal echocardiogram available were identified, one of which was excluded due to hypoplastic left heart syndrome, leaving 25 LUTO fetuses in the final cohort. The mean GA at the first fetal echocardiogram was 25.4 ± 5.1 weeks in the LUTO group and 25.3 ± 5.0 weeks in the control group. Common findings in fetuses with LUTO included cardiomegaly (40%), pericardial effusion (44%), right ventricular (RV) hypertrophy (64%) and left ventricular (LV) hypertrophy (48%). Compared with GA‐matched controls, LUTO fetuses had lower ascending aorta Z‐score (−0.10 ± 0.94 vs −0.93 ± 1.03; P = 0.02) and aortic isthmus Z‐score (−0.14 ± 0.86 vs −1.62 ± 1.11; P < 0.001), shorter mitral valve inflow time indexed to cardiac cycle length (0.46 ± 0.04 vs 0.41 ± 0.06; P = 0.002), and worse (increased) LV myocardial performance index (0.39 ± 0.03 vs 0.44 ± 0.04; P < 0.001). In addition, the ratio of RV to LV cardiac index was higher in LUTO fetuses compared with controls (1.62 ± 0.13 vs 1.33 ± 0.11; P < 0.001). Of the 25 LUTO pregnancies, two were lost to follow‐up, three underwent elective termination of pregnancy and three ended in intrauterine fetal demise. Four (16%) patients had mildly hypoplastic left‐heart structures, comprising two with aortic arch hypoplasia and two with mitral and aortic stenosis.ConclusionIn addition to presenting with cardiomegaly, pericardial effusion and ventricular hypertrophy, fetuses with LUTO demonstrate LV diastolic dysfunction and appear to redistribute cardiac output as compared to control fetuses, which may contribute to the development of left‐heart hypoplasia. Copyright © 2019 ISUOG. Published by John Wiley & Sons Ltd.
Direct observation of procedural skills (DOPS) assessment in diagnostic gastroscopy: nationwide evidence of validity and competency development during training
Authors:   The Joint Advisory Group on Gastrointestinal Endoscopy (JAG), Siau Keith , Crossley James , Dunckley Paul , Johnson Gavin , Feeney Mark , Hawkes Neil D. , Beales Ian L. P. 
Published: March 2019

AbstractBackgroundValidated competency assessment tools and the data supporting milestone development during gastroscopy training are lacking. We aimed to assess the validity of the formative direct observation of procedural skills (DOPS) assessment tool in diagnostic gastroscopy and study competency development using DOPS.MethodsThis was a prospective multicentre (N = 275) analysis of formative gastroscopy DOPS assessments. Internal structure validity was tested using exploratory factor analysis and reliability estimated using generalisability theory. Item and global DOPS scores were stratified by lifetime procedure count to define learning curves, using a threshold determined from receiver operator characteristics (ROC) analysis. Multivariable binary logistic regression analysis was performed to identify independent predictors of DOPS competence.ResultsIn total, 10086 DOPS were submitted for 987 trainees. Exploratory factor analysis identified three distinct item groupings, representing ‘pre-procedure’, ‘technical’, and ‘post-procedure non-technical’ skills. From generalisability analyses, sources of variance in overall DOPS scores included trainee ability (31%), assessor stringency (8%), assessor subjectivity (18%), and trainee case-to-case variation (43%). The combination of three assessments from three assessors was sufficient to achieve the reliability threshold of 0.70. On ROC analysis, a mean score of 3.9 provided optimal sensitivity and specificity for determining competency. This threshold was attained in the order of ‘pre-procedure’ (100–124 procedures), ‘technical’ (150–174 procedures), ‘post-procedure non-technical’ skills (200–224 procedures), and global competency (225–249 procedures). Higher lifetime procedure count, DOPS count, surgical trainees and assessors, higher trainee seniority, and lower case difficulty were significant multivariable predictors of DOPS competence.ConclusionThis study establishes milestones for competency acquisition during gastroscopy training and provides validity and reliability evidence to support gastroscopy DOPS as a competency assessment tool.