bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure‐Guided Discovery of Antitubercular Agents That Target the Gyrase ATPase Domain
Authors: Jeankumar Variam U. , Saxena Shalini , Vats Rahul , Reshma Rudraraju Srilakshmi , Janupally Renuka , Kulkarni Pushkar , Yogeeswari Perumal , Sriram Dharmarajan 
Published: January 2016

AbstractIn this study we explored the pharmaceutically underexploited ATPase domain of DNA gyrase (GyrB) as a potential platform for developing novel agents that target Mycobacterium tuberculosis. In this effort a combination of ligand‐ and structure‐based pharmacophore modeling was used to identify structurally diverse small‐molecule inhibitors of the mycobacterial GyrB domain based on the crystal structure of the enzyme with a pyrrolamide inhibitor (PDB ID: 4BAE). Pharmacophore modeling and subsequent in vitro screening resulted in an initial hit compound 5 [(E)‐5‐(5‐(2‐(1H‐benzo[d]imidazol‐2‐yl)‐2‐cyanovinyl)furan‐2‐yl)isophthalic acid; IC50=4.6±0.1 μm], which was subsequently tailored through a combination of molecular modeling and synthetic chemistry to yield the optimized lead compound 24 [(E)‐3‐(5‐(2‐cyano‐2‐(5‐methyl‐1H‐benzo[d]imidazol‐2‐yl)vinyl)thiophen‐2‐yl)benzoic acid; IC50=0.3±0.2 μm], which was found to display considerable in vitro efficacy against the purified GyrB enzyme and potency against the H37Rv strain of M. tuberculosis. Structural handles were also identified that will provide a suitable foundation for further optimization of these potent analogues.
Colorectal cancer outcomes and treatment patterns in patients too young for average‐risk screening
Authors: Abdelsattar Zaid M. , Wong Sandra L. , Regenbogen Scott E. , Jomaa Diana M. , Hardiman Karin M. , Hendren Samantha 
Published: January 2016

BACKGROUNDAlthough colorectal cancer (CRC) screening guidelines recommend initiating screening at age 50 years, the percentage of cancer cases in younger patients is increasing. To the authors' knowledge, the national treatment patterns and outcomes of these patients are largely unknown.METHODSThe current study was a population‐based, retrospective cohort study of the nationally representative Surveillance, Epidemiology, and End Results registry for patients diagnosed with CRC from 1998 through 2011. Patients were categorized as being younger or older than the recommended screening age. Differences with regard to stage of disease at diagnosis, patterns of therapy, and disease‐specific survival were compared between age groups using multinomial regression, multiple regression, Cox proportional hazards regression, and Weibull survival analysis.RESULTSOf 258,024 patients with CRC, 37,847 (15%) were aged <50 years. Young patients were more likely to present with regional (relative risk ratio, 1.3; P<.001) or distant (relative risk ratio, 1.5; P<.001) disease. Patients with CRC with distant metastasis in the younger age group were more likely to receive surgical therapy for their primary tumor (adjusted probability: 72% vs 63%; P<.001), and radiotherapy also was more likely in younger patients with CRC (adjusted probability: 53% vs 48%; P<.001). Patients younger than the recommended screening age had better overall disease‐specific survival (hazards ratio, 0.77; P<.001), despite a larger percentage of these individuals presenting with advanced disease.CONCLUSIONSPatients with CRC diagnosed at age <50 years are more likely to present with advanced‐stage disease. However, they receive more aggressive therapy and achieve longer disease‐specific survival, despite the greater percentage of patients with advanced‐stage disease. These findings suggest the need for improved risk assessment and screening decisions for younger adults. Cancer 2016;122:929–34. © 2016 American Cancer Society.
The Impact of Causal Explanations on Outcome in People Experiencing Psychosis: A Systematic Review
Authors: Carter Lucy , Read John , Pyle Melissa , Morrison Anthony P. 
Published: January 2016

Findings suggest that the way an individual understands their experiences has important consequences on subsequent health behaviour. One aspect of an individual's understanding is what they believe has caused their experiences. This has been associated with treatment outcome and attitudes towards mental health problems. The aim of this systematic review was to examine the impact of causal beliefs on treatment outcome and stigma in people experiencing psychosis. Three main databases were searched and 21 articles that investigated various aspects of treatment outcome, and stigma in relation to causal beliefs was included in the review. Overall, there were a small number of replicated findings which limits the interpretation of results. There is an indication that causal explanations are associated with various treatment outcomes, including attitudes towards treatment and satisfaction with therapeutic relationships as well as internalized stigma. Spiritual beliefs appeared to be adopted as a coping mechanism and a way to reduce stigma but did not appear to be associated with treatment outcome. Individuals with psychosis do appear to develop causal beliefs that may be associated with engagement with services and treatment, as well as impacting on their attitudes towards themselves and others with mental illness. This may have important implications for clinical practice. Copyright © 2016 John Wiley & Sons, Ltd.Key Practitioner Message

Individuals who have experience of psychosis develop their own subjective causal explanations, and these can be complex and contradictory.
An individual's causal explanation may influence how they engage with services and treatment, as well as providing a way of coming to terms with their difficulties.
Causal explanations may also contribute to the experience of stigma, which is often a significant barrier to recovery for this client group.
Effects of Soluble Lignin on the Formic Acid‐Catalyzed Formation of Furfural: A Case Study for the Upgrading of Hemicellulose
Authors: Dussan Karla , Girisuta Buana , Lopes Marystela , Leahy James J. , Hayes Michael H. B. 
Published: January 2016

AbstractA comprehensive study is presented on the conversion of hemicellulose sugars in liquors obtained from the fractionation of Miscanthus, spruce bark, sawdust, and hemp by using formic acid. Experimental tests with varying temperature (130–170 °C), formic acid concentration (10–80 wt %), carbohydrate concentrations, and lignin separation were carried out, and experimental data were compared with predictions obtained by reaction kinetics developed in a previous study. The conversions of xylose and arabinose into furfural were inherently affected by the presence of polymeric soluble lignin, decreasing the maximum furfural yields observed experimentally by up to 24 %. These results were also confirmed in synthetic mixtures of pentoses with Miscanthus and commercial alkali lignin. This observation was attributed to side reactions involving intermediate stable sugar species reacting with solubilized lignin during the conversion of xylose into furfural.
Intra‐individual stability and developmental change in hair cortisol among postpartum mothers and infants: Implications for understanding chronic stress
Authors: Liu Cindy H. , Snidman Nancy , Leonard Alexandra , Meyer Jerrold , Tronick Ed 
Published: January 2016

ABSTRACTThe study goal was to determine the intra‐individual stability, developmental change, and maternal‐reported correlates (socio‐demographic, stress experiences, hair characteristics, and care) of hair cortisol in mothers and their infants. To assess cortisol deposition in hair during the periods of 6‐to‐9 months and 9‐to‐12 months of age, 3 cm segments of hair samples deemed to represent approximately 3 months of retrospective hair cortisol were sampled longitudinally at 9‐ and 12‐months in 41 mothers and infants. Bivariate correlations and mean level comparisons of log‐transformed hair cortisol levels at 9‐ (T1) and 12‐months (T2) in mothers and infants were examined. Hair cortisol values were positively correlated from T1 to T2 for mothers (r = .41, p < .05) and infants (r = .39, p < .05). Hair cortisol values did not significantly differ from T1 to T2 in infants but decreased for mothers (F(1,34) = 9.2, p < .01). Maternal and infant hair cortisol was not associated with each other at either time point. Self‐reported measures of stress, and hair characteristics and care were not associated with hair cortisol. This is the first study to obtain hair cortisol from more than one time point within the first year after birth in mothers and infants. The intra‐individual stability of hair cortisol suggests that it may be a possible biomarker for detecting change in chronic stress experiences within the first year of life and in the postpartum period. © 2016 Wiley Periodicals, Inc. Dev Psychobiol 58: 509–518, 2016.
Intraspecific variation in seed dispersal of a Neotropical tree and its relationship to fruit and tree traits
Authors: Augspurger Carol K. , Franson Susan E. , Cushman Katherine C. , Muller‐Landau Helene C. 
Published: January 2016

AbstractThe distribution of wind‐dispersed seeds around a parent tree depends on diaspore and tree traits, as well as wind conditions and surrounding vegetation. This study of a neotropical canopy tree, Platypodium elegans, explored the extent to which parental variation in diaspore and tree traits explained (1) rate of diaspore descent in still air, (2) distributions of diaspores dispersed from a 40‐m tower in the forest, and (3) natural diaspore distributions around the parent tree. The geometric mean rate of descent in still air among 20 parents was highly correlated with geometric mean wing loading1/2 (r = 0.84). However, diaspore traits and rate of descent predicted less variation in dispersal distance from the tower, although descent rate−1 consistently correlated with dispersal distance. Measured seed shadows, particularly their distribution edges, differed significantly among six parents (DBH range 62–181 cm) and were best fit by six separate anisotropic dispersal kernels and surveyed fecundities. Measured rate of descent and tree traits, combined in a mechanistic seed dispersal model, did not significantly explain variation among parents in natural seed dispersal distances, perhaps due to the limited power to detect effects with only six trees. Seedling and sapling distributions were at a greater mean distance from the parents than seed distributions; saplings were heavily concentrated at far distances. Variation among parents in the distribution tails so critical for recruitment could not be explained by measured diaspore or tree traits with this sample size, and may be determined more by wind patterns and the timing of abscission in relation to wind conditions. Studies of wind dispersal need to devote greater field efforts at recording the “rare” dispersal events that contribute to far dispersal distances, following their consequences, and in understanding the mechanisms that generate them.
Female Salix viminalis are more severely infected by Melampsora spp. but neither sex experiences associational effects
Authors: Moritz Kim K. , Björkman Christer , Parachnowitsch Amy L. , Stenberg Johan A. 
Published: January 2016

AbstractAssociational effects of plant genotype or species on plant biotic interactions are common, not least for disease spread, but associational effects of plant sex on interactions have largely been ignored. Sex in dioecious plants can affect biotic interactions with herbivores and pollinators; however, its effects on plant–pathogen interactions are understudied and associational effects are unknown. In a replicated field experiment, we assessed Melampsora spp. leaf rust infection in monosexual and mixed sex plots of dioecious Salix viminalis L. to determine whether plant sex has either direct or associational effects on infection severity. We found no differences in Melampsora spp. infection severity among sexual monocultures and mixtures in our field experiment. However, female plants were overall more severely infected. In addition, we surveyed previous studies of infection in S. viminalis clones and reevaluated the studies after we assigned sex to the clones. We found that females were generally more severely infected, as in our field study. Similarly, in a survey of studies on sex‐biased infection in dioecious plants, we found more female‐biased infections in plant–pathogen pairs. We conclude that there was no evidence for associational plant sex effects of neighboring conspecifics for either females or males on infection severity. Instead, plant sex effects on infection act at an individual plant level. Our findings also suggest that female plants may in general be more severely affected by fungal pathogens than males.
Context‐dependent outcomes in a reproductive mutualism between two freshwater fish species
Authors: Peoples Brandon K. , Frimpong Emmanuel A. 
Published: January 2016

AbstractThe development of encompassing general models of ecology is precluded by underrepresentation of certain taxa and systems. Models predicting context‐dependent outcomes of biotic interactions have been tested using plants and bacteria, but their applicability to higher taxa is largely unknown.We examined context dependency in a reproductive mutualism between two stream fish species: mound nest‐building bluehead chubNocomis leptocephalusand mountain redbelly daceChrosomus oreas, which often usesN. leptocephalusnests for spawning. We hypothesized that increased predator density and decreased substrate availability would increase the propensity ofC. oreasto associate withN. leptocephalusand decrease reproductive success of both species.In a large‐scale in situ experiment, we manipulated egg predator density and presence of both symbionts (biotic context), and replicated the experiment in habitats containing high‐ and low‐quality spawning substrate (abiotic context).Contradictory to our first hypothesis, we observed thatC. oreasdid not spawn without its host. The interaction outcome switched from commensalistic to mutualistic with changing abiotic and biotic contexts, although the net outcome was mutualistic.The results of this study yielded novel insight into how context dependency operates in vertebrate mutualisms. Although the dilution effect provided byC. oreaspositively influenced reproductive success ofN. leptocephalus, it was not enough to overcome both egg predation and poor spawning habitat quality. Outcomes of the interaction may be ultimately determined by associate density. Studies of context dependency in vertebrate systems require detailed knowledge of species life‐history traits.
Chronic subcutaneous brain natriuretic peptide therapy in asymptomatic systolic heart failure
Authors: McKie Paul M. , Schirger John A. , Benike Sherry L. , Harstad Lynn K. , Slusser Joshua P. , Hodge David O. , Redfield Margaret M. , Burnett John C. , Chen Horng H. 
Published: January 2016

AimsWe have previously reported that asymptomatic systolic heart failure (HF) is characterized by an impaired renal response to volume expansion due to lack of activation of urinary cGMP which is corrected by subcutaneous (SQ) BNP. In the current study, we sought to define the cardiorenal response to intravascular volume expansion after 12 weeks of SQ BNP therapy.Methods and resultsWe utilized a double‐blinded, placebo‐controlled study to compare 12 weeks of twice‐daily SQ BNP 10 µg/kg (n = 22) or placebo (n = 12) in asymptomatic systolic HF. Subjects underwent two study visits: baseline and after 12 weeks of therapy. At each study visit, echocardiography, renal, and neurohumoral assessments were performed before and after intravascular volume expansion. The primary endpoint was change in urinary sodium excretion in response to volume expansion at 12 weeks, and we observed a greater increase in urinary sodium excretion [166 (77, 290) vs. 15 (−39, 72) mEq/min; P = 0.02] with SQ BNP treatment vs. placebo. Secondary endpoints included change in urine flow and glomerular filtration rate (GFR) in response to volume expansion at 12 weeks. We observed a significant increase in urine flow (P < 0.01) and trend for differential response in GFR (P = 0.08) with SQ BNP treatment vs. placebo.ConclusionAmong patients with asymptomatic systolic HF, twice‐daily SQ BNP therapy improved the cardiorenal response to volume expansion at 12‐week follow‐up. Further studies are warranted to determine if these beneficial physiological observations with chronic natriuretic peptide administration translate into a delay in the progression to symptomatic HF.
Molecular and Electronic Structure of the Cluster [Au8(PPh3)8](NO3)2
Authors: Gutrath Benjamin S. , Schiefer Frank , Homberger Melanie , Englert Ulli , Şerb Mihaela‐D. , Bettray Wolfgang , Beljakov Igor , Meded Velimir , Wenzel Wolfgang , Simon Ulrich 
Published: January 2016

AbstractWe present a detailed structural discussion of [Au8(PPh3)8](NO3)2, crystallized as a CH2Cl2 solvate. Its structure is compared with closely related triphenylphosphine‐stabilized gold clusters. Characterization by optical extinction spectroscopy, luminescence spectroscopy, voltammetry and DFT calculations was performed to determine the electronic HOMO–LUMO gap. Comparison of its characteristic energies with those of structurally related clusters revealed that the evolution of the HOMO–LUMO gap does not follow a simple scaling law but depends on specific structural features.
Solvate Ionic Liquids as Reaction Media for Electrocyclic Transformations
Authors: Eyckens Daniel J. , Champion Megan E. , Fox Bronwyn L. , Yoganantharajah Prusothman , Gibert Yann , Welton Tom , Henderson Luke C. 
Published: January 2016

AbstractSolvate ionic liquids (SILs) consisting of lithium bis(trifluoromethylsulfonyl)imide dissolved in tri‐ or tetraglyme have recently emerged as a novel class of ionic liquids. Herein, the first use of solvate ionic liquids as a replacement for molecular solvents in electrocyclization reactions is reported. The SILs promoted both Diels–Alder and [2+2] cycloaddition reactions, compared to an appropriate molecular solvent, and 5 M lithium perchlorate in diethyl ether. The Gutmann acceptor number (AN) of these solvate ionic liquids has also been determined by 31P NMR spectroscopy to be 26.5, thus being modest Lewis acids.
A proposal for an integrated model of prosocial behavior and collective action as the expression of global citizenship
Authors: Fattori Francesco , Pozzi Maura , Marzana Daniela , Mannarini Terri 
Published: January 2016

AbstractThe processes of globalization that have characterized recent decades have prompted social psychology to rethink some everyday life concerns and local problems at a global level. This article presents an explanatory model of collective action aimed at fighting poverty with a proposal to integrate the Encapsulated Model of Social Identity in Collective Action (EMSICA) with some antecedents from both the psychology of volunteerism and authority relationship literature. A self‐report questionnaire was administered to 783 Italian participants, and through structural equation modeling, we demonstrated that moral reasoning, engagement values, and prosocial disobedience function as antecedents of the EMSICA model and, thus, are elements in the global fight against poverty.
An analysis of five measures of global human identification
Authors: McFarland Sam , Hornsby William 
Published: January 2016

AbstractIn two studies, we examined the interrelationships and relative utility of several recent measures of global human identification. In Study 1, McFarland, Webb, and Brown's () Identification With All Humanity (IWAH) and Malsch and Omoto's () Psychological Sense of Global Community (PSGC) scales overlapped substantially, but each contributed in regression analyses to predicting humanitarian concerns. Each measure consists of multiple factors, and most factors contributed to predicting these concerns. For Study 2, a measure of World Citizenship was added, derived from similar measures by Reese, Proch, and Cohrs () and Reysen and Katzarska‐Miller (). Study 2 largely replicated the Study 1 results while extending them to an added humanitarian concern for global poverty. Overall, the Global Self‐Investment subscale of the IWAH most consistently predicted humanitarian concerns. The measure of World Citizenship correlated with all humanitarian concerns but did not contribute in predicting them beyond the IWAH and PSGC.
Outcomes in Economic Evaluations of Public Health Interventions in Low‐ and Middle‐Income Countries: Health, Capabilities and Subjective Wellbeing
Authors: Greco Giulia , Lorgelly Paula , Yamabhai Inthira 
Published: January 2016

AbstractPublic health programmes tend to be complex and may combine social strategies with aspects of empowerment, capacity building and knowledge across sectors. The nature of the programmes means that some effects are likely to occur outside the healthcare sector; this breadth impacts on the choice of health and non‐health outcomes to measure and value in an economic evaluation.Employing conventional outcome measures in evaluations of public health has been questioned. There are concerns that such measures are too narrow, overlook important dimensions of programme effect and, thus, lead to such interventions being undervalued. This issue is of particular importance for low‐income and middle‐income countries, which face considerable budget constraints, yet deliver a large proportion of health activities within public health programmes.The need to develop outcome measures, which include broader measures of quality of life, has given impetus to the development of a variety of new, holistic approaches, including Sen's capability framework and measures of subjective wellbeing. Despite their promise, these approaches have not yet been widely applied, perhaps because they present significant methodological challenges. This paper outlines the methodological challenges for the identification and measurement of broader outcomes of public health interventions in economic evaluation in low‐income and middle‐income countries.