bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dereplication by HPLC‐DAD‐ESI‐MS/MS and Screening for Biological Activities of Byrsonima Species (Malpighiaceae)
Authors: Fraige Karina , Dametto Alessandra Cristina , Zeraik Maria Luiza , de Freitas Larissa , Saraiva Amanda Correia , Medeiros Alexandra Ivo , Castro‐Gamboa Ian , Cavalheiro Alberto José , Silva Dulce Helena S. , Lopes Norberto Peporine , Bolzani Vanderlan S. 
Published: October 2017

AbstractIntroductionByrsonima species have been used in the treatment of gastrointestinal and gynecological inflammations, skin infections and snakebites. Based on their biological activities, it is important to study other organisms from this genus and to identify their metabolites.ObjectivesTo determine the metabolic fingerprinting of methanol and ethyl acetate extracts of four Byrsonima species (B. intermedia, B. coccolobifolia, B. verbascifolia and B. sericea) by HPLC‐DAD‐ESI‐MS/MS and evaluate their in vitro antioxidant, anti‐glycation, anti‐inflammatory and cytotoxic activities.Materials and methodsAntioxidant activity was determined by DPPH˙, ABTS˙+ and ROO˙ scavenging assays. Anti‐glycation activity was evaluated by the ability to inhibit the formation of advanced glycation endproducts (AGEs). Anti‐inflammatory activity was evaluated using a murine macrophage cell line (RAW 264–7) in the presence of lipopolysaccharide (LPS). Tumour necrosis factor alpha (TNF‐α) and nitrite (NO2−) production were measured by ELISA and the Griess reaction, respectively. The compounds present in the extracts were tentatively identified by HPLC‐DAD‐ESI‐MS/MS.ResultsThe evaluation of the biological activities showed the potential of the extracts. The activities were assigned to the presence of glycoside flavonoids mainly derived from quercetin, quinic acid derivatives, gallic acid derivatives, galloylquinic acids and proanthocyanidins. Two isomers of sinapic acid‐O‐hexoside were described for the first time in a Byrsonima species.ConclusionThis research contributes to the study of the genus, it is the first report of the chemical composition of B. sericea and demonstrates the importance of the dereplication process, allowing the identification of known compounds without time‐consuming procedures. Copyright © 2017 John Wiley & Sons, Ltd.
A DFT study of proton transfers for the reaction of phenol and hydroxyl radical leading to dihydroxybenzene and H2O in the water cluster
Authors: Yamabe Shinichi , Yamazaki Shoko 
Published: October 2017

AbstractReactions of phenol and hydroxyl radical were studied under the aqueous environment to investigate the antioxidant characters of phenolic compounds. M06‐2X/6‐311 + G(d,p) calculations were carried out, where proton transfers via water molecules were examined carefully. Stepwise paths from phenol + OH• + (H2O)n (n = 3, 7, and 12) to the phenoxyl radical (PhO•) via dihydroxycyclohexadienyl radicals (ipso, ortho, meta, and para OH‐adducts) were obtained. In those paths, the water dimer was computed to participate in the bond interchange along hydrogen bonds. The concerted path corresponding to the hydrogen atom transfer (HAT, apparently PhOH + OH• → PhO• + H2O) was found. In the path, the hydroxyl radical located on the ipso carbon undergoes the charge transfer to prompt the proton (not hydrogen) transfer. While the present new mechanism is similar to the sequential proton loss electron transfer (SPLET) one, the former is of the concerted character. Tautomerization reactions of ortho or para (OH)C6H5=O + (H2O)n → C6H4(OH)2(H2O)n were traced with n = 2, 3, 4, and 14. The n = 3 (and n = 14) model of ortho and para was calculated to be most likely by the strain‐less hydrogen‐bond circuit.
Mass spectrometry in untargeted liquid chromatography/mass spectrometry metabolomics: Electrospray ionisation parameters and global coverage of the metabolome
Authors: Tugizimana Fidele , Steenkamp Paul A. , Piater Lizelle A. , Dubery Ian A. 
Published: October 2017

RationaleLiquid chromatography coupled to mass spectrometry (LC/MS) is a dominant analytical platform in metabolomics, because of the high sensitivity and resolution, thus enabling large‐scale coverage of metabolomes. Correspondingly, electrospray ionisation (ESI) is the favoured ionisation method in untargeted LC/MS metabolomics given the ability to produce large numbers of ions. In the workflow of LC/ESI‐MS metabolomics, maximising the ionisation efficiency over a wide mass range is inevitably an essential and determining step, subsequently defining the extent of coverage of the metabolome under investigation. Thus in this study, electronic factors related to the functioning of the ESI source, namely the capillary and sample cone voltages, were explored to investigate the influence on the data acquired in metabolomic investigations.MethodsHydromethanolic samples from an untargeted study (sorghum plants responding dynamically to fungal infection) were analysed on a high‐resolution/definition LC/ESI‐MS system. Here the capillary and sample cone voltages of the ZSpray™ ESI source were varied between 1.5–3.0 kV and 10.0–40.0 V, respectively. The acquired data were processed with MarkerLynx™ software and analysed using central composite design response surface methodology and chemometric approaches (principal component analysis and orthogonal projection latent structures‐discriminant analysis).ResultsThe results evidently demonstrate that both capillary and sampling cone voltages not only significantly influence the recorded MS signals with regard to the number and abundance of features, but also the overall structure of the collected data. This consequently impacts on the information extracted from the data and thus affects coverage of the metabolome.ConclusionsThe observations postulate in that, untargeted LC/MS metabolomics, 'what you see is what you ionise'. Although there is convergence of collected data under different ESI conditions, the nuances observed indicate that the exploration of different ion source settings could be the best trade‐off in expanding and maximising the metabolome coverage in untargeted metabolomic experiments.
Responses of fishes and lampreys to the re‐creation of meanders in a small English chalk stream
Authors: Champkin J. D. , Copp G. H. , Sayer C. D. , Clilverd H. M. , George L. , Vilizzi L. , Godard M. J. , Clarke J. , Walker A. M. 
Published: October 2017

AbstractRiver rehabilitation initiatives have become commonplace in European water courses as a result of European Union Water Framework Directive requirements. However, the short‐term responses of fishes to such work have thus far been varied, with some river rehabilitation efforts resulting in demonstrable improvements in diversity and size structure, whereas others have resulted in little or no change. Electrofishing and channel character surveys were conducted annually between 2009 and 2014 on a reach of the River Glaven (North Norfolk, UK) before and after rehabilitation work (embankment removal in 2009 and re‐meandering in 2010) as well as on a control reach immediately upstream. To assess the effects of rehabilitation work, before‐after‐control‐impact analysis tested for changes in channel character (geomorphology, substratum composition, and mesohabitat structure) and in fish species richness, relative abundance, population density, and size structure (calculated after fish data entry into the UK Environment Agency's National Fisheries Population Database). Following re‐meandering work (i.e., treatment), habitat heterogeneity and depth variation increased in the treatment reach, but fish responses were not significant except for biomass and density increases of brown trout Salmo trutta and abundance decreases of European eel Anguilla anguilla, in the treatment but not the control reach. These results are consistent with comparable river rehabilitation initiatives elsewhere, and they suggest that larger‐scale rehabilitations are probably needed to produce greater increases in fish density and diversity. It is recommended that future rehabilitation initiatives address catchment‐scale factors that can enhance ecosystem recovery, for example, removal of barriers to colonization, and increases in connectivity and water quality issues linked to eutrophication, elevated fine sediment inputs, and various pollutants.
Educators' emotion regulation strategies and their physiological indicators of chronic stress over 1 year
Authors: Katz Deirdre A. , Harris Alexis , Abenavoli Rachel , Greenberg Mark T. , Jennings Patricia A. 
Published: October 2017

AbstractStudies show teaching is a highly stressful profession and that chronic work stress is associated with adverse health outcomes. This study analysed physiological markers of stress and self‐reported emotion regulation strategies in a group of middle school teachers over 1 year. Chronic physiological stress was assessed with diurnal cortisol measures at three time points over 1 year (fall, spring, fall). The aim of this longitudinal study was to investigate the changes in educators' physiological level of stress. Results indicate that compared to those in the fall, cortisol awakening responses were blunted in the spring. Further, this effect was ameliorated by the summer break. Additionally, self‐reported use of the emotion regulation strategy reappraisal buffered the observed blunting that occurred in the spring.
Metabolism in cancer metastasis: bioenergetics, biosynthesis, and beyond
Authors: Teoh Shao Thing , Lunt Sophia Y. 
Published: October 2017

Metabolic changes accompany tumor progression and metastatic dissemination of cancer cells. Yet, until recently, metabolism has received little attention in the study of cancer metastasis. Cancer cells undergo significant metabolic rewiring as they acquire metastatic traits and adapt to survive in multiple environments with varying nutrient availability, oxygen concentrations, and extracellular signals. Therefore, to effectively treat metastatic cancer, it is important to understand the metabolic strategies adopted by cancer cells during the metastatic process. Here, we focus on the metabolic pathways known to play a role in cancer metastasis, including glycolysis, the pentose phosphate pathway, tricarboxylic acid cycle, oxidative phosphorylation, amino acid metabolism, and fatty acid metabolism. Recent studies have uncovered roles for these pathways in cellular events that promote metastasis, including reactive oxygen species‐mediated signaling, epigenetic regulation, and interaction with the extracellular matrix. We also discuss the metabolic interplay between immune cells and cancer cells supporting metastasis. Finally, we highlight the current limitations of our knowledge on this topic, and present future directions for the field. WIREs Syst Biol Med 2018, 10:e1406. doi: 10.1002/wsbm.1406This article is categorized under:

Biological Mechanisms > Metabolism
Risky Play
Authors: Kvalnes Øyvind 
Published: October 2017

AbstractThis chapter explores how the upbringing of children can affect the extent to which they are capable of and prepared to deal with risk, uncertainty, and fallibility in adulthood. More specifically, it discusses how children’s engagement in risky play can have anti-phobic effects that help to prepare them for encounters with real and probable adversity as adults, and also the critical quality moments where the next decision they make will crucially impact the outcome of processes at work. The aim of the chapter is to consider possible links from findings in childhood research to theories about people’s capabilities to cope with fallibility in work settings. It does so by applying the concept of resilience, and the distinctions between growth and fix mindset, and between agent and pawn mentality.
Moral Risk in a Nursing Home
Authors: Kvalnes Øyvind 
Published: October 2017

AbstractThis chapter discusses narratives from a nursing home where the residents express a wish to come closer to social life and be more active. Based on the residents’ answers to inquiries about what they considered to be a good life, the leaders at the home initiated a range of social activities. The intention was to provide the residents with more room for meaningful practices, but some of the activities also increased the risk of harm. Starting from the nursing home narratives, the chapter addresses three principled questions regarding responsibility and risk at work: (1) To what extent do our moral evaluations of past decisions and behavior depend on actual outcomes? (2) What kind of protection against sanctions should be in place for people who take risky decisions at work? (3) What is the role of leaders in cases where either active or passive mistakes from employees lead to bad outcomes? These questions are discussed in the light of the distinction between active and passive mistakes, and the distinction between prescriptive (do good) and proscriptive (do not harm) ethics.
Fallibility and Trust in Healthcare
Authors: Kvalnes Øyvind 
Published: October 2017

AbstractThis chapter discusses examples from healthcare, to illustrate further the relevance of Reason’s barrier model beyond aviation, and to introduce the concept of trust into the discussion about fallibility. Hospital staff face situations where it is important that they voice a concern, and intervene to stop chains of events that may lead to unnecessary injury or death. Hospitals and other organizations in the health sector need to create a barrier system where people do not hesitate to voice their concerns, a communication climate where it is normal and appreciated to intervene when you sense that something is wrong. The guiding ideas of this chapter are that openness about mistakes (i) can serve a foundation for trust within a professional unit, (ii) is necessary for further learning and improvement of professional services, and (iii) can strengthen public trust in the service providers.
Approaches to Help in Organizations
Authors: Kvalnes Øyvind 
Published: October 2017

AbstractThis chapter addresses how initiatives to seek, offer, and provide help is a central ingredient in coping with fallibility at work. First, it discusses how bystander effects and confirmation fallacies can create hesitancy to seek and offer help. Second, it focuses on the perception of social cost as an explanation of why people might refrain from seeking help in critical situations at work. The starting point for that discussion is two examples from healthcare, one real and one fictitious, in which inexperienced professionals attempt to do things on their own, without help or support from colleagues. Third, it considers how systems of holding back can make people mute and passive in situations where they either need or are in a position to offer help.
A formal verification technique for behavioural model-to-model transformations
Authors: de Putter Sander , Wijs Anton 
Published: October 2017

Abstract

In Model Driven Software Engineering, models and model transformations are the primary artifacts when developing a software system. In such a workflow, model transformations are used to incrementally transform initial abstract models into concrete models containing all relevant system details. Over the years, various formal methods have been proposed and further developed to determine the functional correctness of models of concurrent systems. However, the formal verification of model transformations has so far not received as much attention. In this article, we propose a formal verification technique to determine that formalisations of such transformations in the form of rule systems are guaranteed to preserve functional properties, regardless of the models they are applied on. This work extends our earlier work in various ways. Compared to our earlier approaches, the current technique involves only up to
n
individual checks, with
n
the number of rules in the rule system, whereas previously, up to 2

n

− 1 checks were required. Furthermore, a full correctness proof for the technique is presented, based on a formal proof conducted with the Coq proof assistant. Finally, we report on two sets of conducted experiments. In the first set, we compared traditional model checking with transformation verification, and in the second set, we compared the verification technique presented in this article with the previous version.
Cut branches before looking for bugs: certifiably sound verification on relaxed slices
Authors: Léchenet Jean-Christophe , Kosmatov Nikolai , Le Gall Pascale 
Published: October 2017

Abstract

Program slicing can be used to reduce a given initial program to a smaller one (a
slice
) that preserves the behavior of the initial program with respect to a chosen criterion. Verification and validation (V&V) of software can become easier on slices, but require particular care in the presence of errors or non-termination in order to avoid unsound results or a poor level of code reduction in slices with respect to the initial program. This article proposes a theoretical foundation for conducting V&V activities on a slice instead of the initial program. We introduce the notion of
relaxed slicing
that is still capable of producing small slices, even in the presence of errors or non-termination, and establish an appropriate soundness property. It allows us to give a precise interpretation of verification results (absence or presence of errors) obtained for a slice in terms of the initial program. The implementation of these results in the Coq proof assistant is presented and some of its difficult points are discussed.
Examining stress: an investigation of stress, mood and exercise in medical students
Authors: O’Flynn J. , Dinan T. G. , Kelly J. R. 
Published: October 2017

ObjectivesStress is an event that threatens homoeostasis and thus causes physiological and behavioural responses to reinstate equilibrium. Excessive and/or chronic stress can be psychologically and physiologically detrimental. Examinations can represent a significant source of stress for students. The hypothalamic–pituitary–adrenal axis (HPA) is the core endocrine stress system. Investigations into the HPA response to examinations have yielded inconsistent results. The aim of this study is to further explore the relationship between examination stress, HPA axis activity, mood, sleep and exercise in students undergoing a naturalistic examination period stressor.MethodsIn total, 16 medical students participated. Students completed self-reported stress, anxiety, mood, sleep and physical activity questionnaires, and provided saliva samples during an examination-free period and an examination period 1 month later. The cortisol awakening response, representative of HPA activity, was determined from saliva samples by enzyme-linked immunosorbent assay.ResultsAnxiety levels increased (p=0.04) and mood decreased (p=0.05) during the examination period. There was concomitant decease in physical activity levels (p=0.02). There was no significant increase in HPA activity during the examination period (p=0.29). Sleep quality did not significantly worsen (p=0.55) during the examination period.ConclusionsExamination periods are associated with increased anxiety levels, lower mood and decreased physical activity. Future studies incorporating examination results and cognitive function may help to identify potential protective interventional strategies, while optimising performance.
Weakening of northeast trade winds during the Heinrich stadial 1 event recorded by dune field stabilization in tropical Brazil
Authors: Conforti Ferreira Guedes Carlos , Fonseca Giannini Paulo César , Oliveira Sawakuchi André , DeWitt Regina , Paulino de Aguiar Vitor Ângelo 
Published: October 2017

AbstractThe identification, characterization, and mapping of large areas of stabilized eolian features along the tropical northeastern Brazilian coast enabled recognition of the existence of one of the largest Quaternary dune fields (16,000 km2) in South America. This paleodune system is observed inland of the Lençóis Maranhenses transgressive dune field (2.5°S, 43°W) and comprises deflation plains, stabilized parabolic dunes, and barchanoid chains developed under the action of northeast (NE) trade winds. Optically stimulated luminescence ages coupled with geomorphological analysis were used to constrain the time of dune field stabilization. Ages of stabilization of parabolic dunes and barchanoid chains throughout this paleodune system range between 19 to 14 ka showing heterogeneous dune stabilization by vegetation growth during a 5 ka time interval. Dune field stabilization is related to a decrease in NE trade wind strength and increase in precipitation as a consequence of the southward shift of the Intertropical Convergence Zone during the Heinrich stadial 1 event (18–15 ka), which resulted in a lower eolian drift potential, less sand input by alongshore transport, and low sediment availability to eolian transport, due to an increase in moisture to support vegetation growth and rising relative sea level.
Associations of dietary patterns with bone mass, muscle strength and balance in a cohort of Australian middle-aged women
Authors: Wu Feitong , Wills Karen , Laslett Laura L. , Oldenburg Brian , Jones Graeme , Winzenberg Tania 
Published: October 2017

AbstractInfluences of dietary patterns on musculoskeletal health are poorly understood in middle-aged women. This cross-sectional analysis from a cohort of 347 women (aged 36–57 years) aimed to examine associations between dietary patterns and musculoskeletal health outcomes in middle-aged women. Diet was measured by the Cancer Council of Victoria FFQ. Total body bone mineral content (TB BMC), femoral neck and lumbar spine bone density (dual-energy X-ray absorptiometry), lower limbs muscle strength (LMS) and balance tests (timed up and go test, step test, functional reach test (FRT) and lateral reach test) were also measured. Exploratory factor analysis was used to identify dietary patterns and scores for each pattern generated using factor loadings with absolute values ≥0·20. Associations between food pattern scores and musculoskeletal outcomes were assessed using multivariable linear regression. Three dietary patterns were identified: ‘Healthy’ (high consumption of a plant-based diet – vegetables, legumes, fruit, tomatoes, nuts, snacks, garlic, whole grains and low intake of high-fat dairy products), ‘high protein, high fat’ (red meats, poultry, processed meats, potatoes, cruciferous and dark-yellow vegetables, fish, chips, spirits and high-fat dairy products) and ‘Processed foods’ (high intakes of meat pies, hamburgers, beer, sweets, fruit juice, processed meats, snacks, spirits, pizza and low intake of cruciferous vegetables). After adjustment for confounders, Healthy pattern was positively associated with LMS, whereas Processed foods pattern was inversely associated with TB BMC and FRT. The associations were not significant after accounting for multiple comparisons. There were no associations with any other outcomes. These results suggest that maintaining a healthy diet could contribute to bone acquisition, muscle strength and balance in adult life. However, while they provide some support for further investigating dietary strategies for prevention of age-related loss of muscle and deterioration in balance, the exploratory nature of the analyses means that confirmation in longitudinal studies and/or trials with pre-specified hypotheses is needed.