bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular mechanism for cavitation in water under tension
Authors: Menzl Georg , Gonzalez Miguel A. , Geiger Philipp , Caupin Frédéric , Abascal José L. F. , Valeriani Chantal , Dellago Christoph 
Published: November 2016

Significance
Cavitation, the formation of vapor-filled bubbles in a liquid at low pressures, is a powerful phenomenon with important consequences in nature and technology. For instance, cavitation bubbles may interrupt water flow in plants under dry conditions or severely damage the metal surfaces of machines such as pumps and propellers. Using molecular simulations, we have studied cavitation in water at strongly negative pressures and have revealed its molecular mechanism. We find that bubble growth is governed by the viscosity of the liquid. Although small bubbles are shaped irregularly, classical nucleation theory accurately describes the free energy barrier that impedes rapid bubble formation. Our simulations indicate that water can withstand negative pressures exceeding −120 MPa in agreement with recent experiments.
Pseudocapacitive materials for electrochemical capacitors: from rational synthesis to capacitance optimization
Authors: Wang Jie , Dong Shengyang , Ding Bing , Wang Ya , Hao Xiaodong , Dou Hui , Xia Yongyao , Zhang Xiaogang 
Published: November 2016

Abstract
Among various energy-storage devices, electrochemical capacitors (ECs) are prominent power provision but show relatively low energy density. One way to increase the energy density of ECs is to move from carbon-based electric double-layer capacitors to pseudocapacitors, which manifest much higher capacitance. However, compared with carbon materials, the pseudocapacitive electrodes suffer from high resistance for electron and/or ion transfer, significantly restricting their capacity, rate capability and cyclability. Rational design of electrode materials offers opportunities to optimize their electrochemical performance, leading to devices with high energy density while maintaining high power density. This paper reviews the different approaches of electrodes striving to advance the energy and power density of ECs.
Staphylococcus epidermidis Protection Against Staphylococcus aureus Colonization in People Living With Human Immunodeficiency Virus in an Inner-City Outpatient Population: A Cross-Sectional Study
Authors: Sullivan Sean B. , Kamath Suneel , McConville Thomas H. , Gray Brett T. , Lowy Franklin D. , Gordon Peter G. , Uhlemann Anne-Catrin 
Published: November 2016

AbstractBackgroundPeople living with human immunodeficiency virus (PLWH) have been disproportionally affected by methicillin-resistant Staphylococcus aureus (MRSA) colonization and infection, in particular by clones USA300 and USA500. However, the contribution of epidemiological, bacterial, and immunological risk factors to the excess of S aureus in PLWH remain incompletely understood.MethodsIn this cross-sectional study, we determined the prevalence and molecular epidemiology of S aureus colonization in 93 PLWH attending an urban human immunodeficiency virus (HIV) clinic. Participants completed a structured interview assessing demographic information and risk factors for MRSA. Swabs were obtained from the nose, throat, and groin and cultured for S aureus and Staphylococcus epidermidis.ResultsMost participants had well controlled HIV infection (89, 96% CD4 &gt;200). Thirty-six (39%) individuals were colonized with S aureus at 1 or more body sites, including 6 (6%) with MRSA. Regular gym use was a risk factor for S aureus but not MRSA carriage. In contrast, S epidermidis was present in almost all individuals (n = 84, 90%), predominantly in the nares (n = 66, 71%). Using generalized estimating equation models, we observed that the odds of S aureus colonization were significantly and drastically reduced when S epidermidis was detected (P = .0001). After controlling for site, gender, and age, we identified that the odds of S aureus colonization were 80% less if S epidermidis was present (adjusted odds ratio, 0.20; 95% confidence interval, .09–.45; P &lt; .0001).ConclusionsTaken together, we observed a lower prevalence of S aureus and MRSA colonization than has been previously reported in PLWH. In this cohort, colonization with S epidermidis was protective against S aureus colonization.
Why Does This Learner Perform Poorly on Tests? Using Self-Regulated Learning Theory to Diagnose the Problem and Implement Solutions
Authors: Andrews Mary A. , Kelly William F. , DeZee Kent J. 
Published: November 2016

Problem
Learners who underperform on standardized tests are common throughout all levels of medical education and require considerable faculty time and effort to remediate. Current methods for remediating test-taking difficulties are typically not grounded in educational theory or supported by high-quality evidence.

Approach
A test-taking assessment was developed based on self-regulated learning (SRL) microanalytic assessment and training and used during academic year 2012–2013. This method assesses the SRL subprocesses of strategic planning, self-monitoring, causal attributions, and adaptive inferences during the educational task of answering test questions. The method was designed for one-on-one use by teacher and learner, and for learner self-assessment and practice.

Outcomes
At one academic institution, this method was used to categorize learners into struggling test-taker subtypes which correspond to deficiencies in the SRL subprocesses outlined above. A learning plan based on the SRL deficiency was developed for each struggling test-taker subtype. In a small number of internal medicine residents with low in-training examination scores, use of this method yielded improvements in 2013 in-training examination score that doubled the expected improvement based on historical averages.

Next Steps
This method is a novel application of SRL theory to a commonly encountered problem in medical education: the learner who performs poorly on tests. Large-scale, multicenter studies of medical learners at a variety of training levels and program types are needed to determine the effectiveness and generalizability of this intervention.
The Development and Evaluation of a Novel Instrument Assessing Residents’ Discharge Summaries
Authors: Hommos Musab S. , Kuperman Ethan F. , Kamath Aparna , Kreiter Clarence D. 
Published: November 2016

Purpose
To develop and determine the reliability of a novel measurement instrument assessing the quality of residents’ discharge summaries.

Method
In 2014, the authors created a discharge summary evaluation instrument based on consensus recommendations from national regulatory bodies and input from primary care providers at their institution. After a brief pilot, they used the instrument to evaluate discharge summaries written by first-year internal medicine residents (n = 24) at a single U.S. teaching hospital during the 2013–2014 academic year. They conducted a generalizability study to determine the reliability of the instrument and a series of decision studies to determine the number of discharge summaries and raters needed to achieve a reliable evaluation score.

Results
The generalizability study demonstrated that 37% of the variance reflected residents’ ability to generate an adequate discharge summary (true score variance). The decision studies estimated that the mean score from six discharge summary reviews completed by a unique rater for each review would yield a reliability coefficient of 0.75. Because of high interrater reliability, multiple raters per discharge summary would not significantly enhance the reliability of the mean rating.

Conclusions
This evaluation instrument reliably measured residents’ performance writing discharge summaries. A single rating of six discharge summaries can achieve a reliable mean evaluation score. Using this instrument is feasible even for programs with a limited number of inpatient encounters and a small pool of faculty preceptors.
Immunization Status of NICU Graduates at a Tertiary Care Children's Hospital
Authors: Macintosh Janelle L. B. , Huggins Leslie J. , Eden Lacey M. , Merrill Katreena Collette , Luthy Karlen E. (Beth) 
Published: November 2016

Background:
Approximately 500,000 infants are born prematurely each year in the United States. Immunization of infants in a neonatal intensive care unit (NICU) set a precedence for future immunizations.

Purposes:
The objectives of this study were to determine the current rates of immunization and identify variables associated with immunizations of NICU graduates who were aged 60 days or older at time of discharge.

Methods:
This descriptive pilot study utilized retrospective paper medical record review in one tertiary children's hospital. The relationships between immunization status and study variables were examined using t tests and logistic regression.

Results:
Of 43 infants discharged at least 60 days of age or older from the NICU, 74.4% were fully immunized in accordance with American Academy of Pediatrics (AAP) recommendations. Significant predictors were age at discharge for immunization and steroid use for nonimmunization.

Implications for Practice:
Immunization needs to be a priority in order to give NICU infants every advantage regarding their future health status. Nurses need to implement hospital policies ensuring immunizations of NICU graduates.

Implications for Research:
Future studies should focus on samples from diverse hospitals and levels of NICUs. Qualitative studies exploring and describing parent and provider knowledge of current AAP guidelines will strengthen our understanding of potential barriers to immunization.
Exploring the Validity of Developing an Interdisciplinarity Score of a Patient's Needs: Care Coordination, Patient Complexity, and Patient Safety Indicators
Authors: Hodgson Ashley , Etzkorn Lacey , Everhart Alexander , Nooney Nicholas , Bestrashniy Jessica 
Published: November 2016

Abstract:
Despite the Affordable Care Act's push to improve the coordination of care for patients with multiple chronic conditions, most measures of coordination quality focus on a specific moment in the care process (e.g., medication errors or transfer between facilities), rather than patient outcomes. One possible supplementary way of measuring the care coordination quality of a facility would be to identify the patients needing the most coordination, and to look at outcomes for that group. This paper lays the groundwork for a new measure of care coordination quality by outlining a conceptual framework that considers the interaction between a patient's interdisciplinarity, biological susceptibility, and procedural intensity. Interdisciplinarity captures the degree of specialized medical expertise needed for a patient's care and will be an important measure to estimate the number of specialists a patient might see. We then develop a preliminary measure of interdisciplinarity and run tests linking interdisciplinarity to medical mistakes, as defined by Agency for Healthcare Research and Quality's Patient Safety Indicators. Finally, we use our preliminary measure to verify that interdisciplinarity is likely to be statistically different from existing measures of comorbidity, like the Charlson score. Future research will need to build upon our findings by developing a more statistically validated measure of interdisciplinarity.
Perceived Discrimination, Racial Identity, and Multisystem Stress Response to Social Evaluative Threat Among African American Men and Women
Authors: Lucas Todd , Wegner Rhiana , Pierce Jennifer , Lumley Mark A. , Laurent Heidemarie K. , Granger Douglas A. 
Published: November 2016

ABSTRACT

Objective
Understanding individual differences in the psychobiology of the stress response is critical to grasping how psychosocial factors contribute to racial and ethnic health disparities. However, the ways in which environmentally sensitive biological systems coordinate in response to acute stress is not well understood. We used a social-evaluative stress task to investigate coordination among the autonomic nervous system, hypothalamic-pituitary-adrenal axis, and immune/inflammatory system in a community sample of 85 healthy African American men and women.

Methods
Six saliva samples, 2 at each of baseline, event, and recovery phases of the stressor task, were assayed for cortisol, dehydroepiandrosterone-sulfate, salivary alpha-amylase, and salivary C-reactive protein. Individual differences in perceived discrimination and racial identity were also measured.

Results
Factor analysis demonstrated that stress systems were largely dissociated before stressor exposure but became aligned during event and recovery phases into functional biological stress responses (factor loadings ≥ .58). Coordinated responses were related to interactions of perceived discrimination and racial identity: when racial identity was strong, highly perceived discrimination was associated with low hypothalamic-pituitary-adrenal axis activity at baseline (B's = .68–.72, p < .001), low stress mobilization during the task (B's = .46–.62, p < .049), and a robust inflammatory response (salivary C-reactive protein) during recovery (B's = .72–.94, p < .002).

Conclusion
Culturally relevant social perceptions may be linked to a specific pattern of changing alignment in biological components of the stress response. Better understanding these links may significantly advance understanding of stress-related illnesses and disparities.
Bidirectionality Between Sleep Symptoms and Core Depressive Symptoms and Their Long-Term Course in Major Depression
Authors: Bouwmans Mara E.J. , Conradi Henk Jan , Bos Elisabeth H. , Oldehinkel Albertine J. , de Jonge Peter 
Published: November 2016

ABSTRACT

Objective
To investigate the bidirectional dynamic relationship between sleep symptoms and core depressive symptoms and to identify subgroups differing with respect to their course.

Methods
The weekly state of depressive symptoms in depressed primary care patients (N = 267) was assessed retrospectively every 3 months for 3 consecutive years. The bidirectional relationship between sleep and core symptoms was estimated by means of manifest Markov modeling. Data-driven subgroups were estimated with parallel processes—latent class growth analyses to identify differences in courses of sleep and core symptoms.

Results
In total, core symptoms were associated with next-week development (odds = 1.42; 95% confidence interval [CI] = 1.20–1.67; p < .001) and remission of sleep symptoms (odds = 0.86; 95% CI 0.75 to 0.99, p = .033).
Evidence was also found for a reverse pathway such that sleep symptoms were associated with the development (odds = 1.26; 95% CI = 1.05–1.50; p = .012) and remission of core symptoms (odds = 0.87; 95% CI = 0.76–0.99; p = .038). Three classes with different 3-year courses were derived. In class 1, the likelihood that core symptoms remitted was reduced if sleep symptoms were present, and symptoms remained present over 3 years. In class 2, symptoms were bidirectionally related and remitted over 3 years. In class 3, symptoms were not associated, and sleep symptoms declined less steeply than core depressive symptoms.

Conclusions
The results suggest that sleep symptoms should be treated alongside core depressive symptoms in patients with an asynchronic decrease of sleep and core symptoms and in patients that do not respond to treatment to increase the chance of complete remission.
Recent advances in cerebrospinal fluid biomarkers for the detection of preclinical Alzheimer's disease
Authors: Kulic Luka , Unschuld Paul G. 
Published: November 2016

Purpose of review
The concept of preclinical Alzheimer's disease has emerged to describe the long ‘silent’ phase of the disease when significant pathophysiological changes occur in the brain but clinical symptoms are not yet manifest. In this review, a summary of the recent advances in cerebrospinal fluid (CSF) biomarker-based diagnostics of preclinical Alzheimer's disease will be presented.

Recent findings
The association between core CSF biomarkers of Alzheimer's disease and between CSF and neuroimaging markers has been a major focus of various recently published studies in cognitively healthy individuals. Longitudinal results from several research groups suggest that CSF Aβ42 is altered early in preclinical Alzheimer's disease, even preceding changes on amyloid PET imaging. In line with the proposed NIA-AA criteria, elevated tau levels and/or Aβ/tau interactions appear to be a prerequisite for neurodegeneration and future cognitive decline. Novel candidate CSF markers, including markers of neuronal and synaptic injury as well as neuroinflammation, may complement CSF-based diagnostics in preclinical Alzheimer's disease.

Summary
Further longitudinal research is necessary to delineate the temporal changes of core and candidate CSF biomarkers in preclinical Alzheimer's disease and to investigate their association with established and emerging neuroimaging markers as well as with comorbidities and other risk factors for age-related cognitive decline.
European sea bass show behavioural resilience to near-future ocean acidification
Authors: Duteil M. , Pope E. C. , Pérez-Escudero A. , de Polavieja G. G. , Fürtbauer I. , Brown M. R. , King A. J. 
Published: November 2016

Ocean acidification (OA)—caused by rising concentrations of carbon dioxide (CO
2
)—is thought to be a major threat to marine ecosystems and has been shown to induce behavioural alterations in fish. Here we show behavioural resilience to near-future OA in a commercially important and migratory marine finfish, the Sea bass (
Dicentrarchus labrax
). Sea bass were raised from eggs at 19°C in ambient or near-future OA (1000 µatm
p
CO
2
) conditions and
n
= 270 fish were observed 59–68 days post-hatch using automated tracking from video. Fish reared under ambient conditions, OA conditions, and fish reared in ambient conditions but tested in OA water showed statistically similar movement patterns, and reacted to their environment and interacted with each other in comparable ways. Thus our findings indicate behavioural resilience to near-future OA in juvenile sea bass. Moreover, simulated agent-based models indicate that our analysis methods are sensitive to subtle changes in fish behaviour. It is now important to determine whether the absences of any differences persist under more ecologically relevant circumstances and in contexts which have a more direct bearing on individual fitness.
Entropy Transfer between Residue Pairs Shows that Allostery is an Intrinsic Property of Proteins: Quantifying Allosteric Communication in Ubiquitin
Authors: Hacisuleyman Aysima , Erman Burak 
Published: November 2016

AbstractIt has recently been proposed by Gunasakaran et al. that allostery may be an intrinsic property of all proteins. Here, we apply Schreiber’s transfer entropy formulation to the non-allosteric protein Ubiquitin and show that there are indeed systematic pathways of entropy and information transfer between residues that correlate well with the activities of the protein. We use 600 nanosecond molecular dynamics trajectories for Ubiquitin and its complex with human polymerase iota and evaluate entropy transfer between all pairs of residues of Ubiquitin and quantify the binding susceptibility changes upon complex formation. Calculations show that specific residues act as entropy reservoirs in Ubiquitin and others as entropy sinks. Using the plausible conjecture that extracting entropy from a residue makes it more susceptible for interaction with a partner, we explain the ternary complex formation of Ubiquitin in terms of entropy transfer. Finally, we show that time delayed correlation of fluctuations of two interacting residues possesses an intrinsic causality that tells which residue controls the interaction and which one is controlled. Our work shows that time delayed correlations, entropy transfer and causality are the required new concepts for explaining allosteric communication in proteins.Author SummaryAllosteric communication is essential for the function of proteins. Recent work shows that allostery results from dynamic processes in the protein associated with atomic fluctuations leading to entropic interactions that involve ensemble of pathways rather than discrete two state transitions. Based on this new picture of allostery, it was proposed that allostery may indeed be an intrinsic property of all proteins. In order to test this hypothesis, we derive the computational tools for quantifying allosteric communication, and explain allostery in terms of entropy transfer, a new concept based on information theory. We use long molecular dynamics simulations of proteins from which we calculate the transfer of entropy between pairs of residues. Results of simulations show that certain residues act as entropy sources while others as entropy sinks. Evaluation of time delayed correlations shows the presence of causality of interactions that allow us to differentiate between residues that are drivers in allosteric activity and those that are driven. Identification of driver-driven relations is important for drug design. Using the example of Ubiquitin, a protein that is not known to be allosteric, we identify paths of information transfer that control its binding to diverse partners in the Ubiquitin-Proteasome System. We conclude that allosteric communication resulting from entropy transfer between residues is an intrinsic property of all proteins.
Increasing diversity through goal-setting in corporate social responsibility reporting
Authors: Motel Laura 
Published: November 2016

Purpose
The purpose of this paper is to evaluate the effect of goal-setting theory in remediating workplace demographic representation inequality.

Design/methodology/approach
This study evaluates the effect of goal-setting theory in Fortune 100 companies’ corporate social reporting (CSR) on year-over-prior change in diversity representation using t-tests and independent, repeated measures ANOVA.

Findings
Reporting companies significantly outperformed the population in minority and female leadership increases. Companies using specific goals and relevant feedback facilitated better outcomes for minority and female leaders, respectively.

Research limitations/implications
Dichotomous coding was employed. Qualitative coding over multiple years is suggested for future research. CSR reporting is voluntary, unaudited, and inconsistent. Comparing outcomes for organizations with mandatory reporting or diversity quotas would provide interesting future comparatives. Despite the limitations, this research demonstrates the benefits of goal-setting theory on social outcomes.

Practical implications
Companies transparently publishing goals, feedback, and metrics lead the way to multicultural environments. Additionally, investors use social responsibility in investment decision making. The Securities and Exchange Commission should incorporate non-financial requirements into existent reporting subject to audit, consistent presentation, and public availability. Organizations should disclose diversity goals and outcomes whether the company aspires to genuinely promote greater representation or avoid greater regulation. Reporting transparency and articulation of specific, measureable goals and feedback are encouraged for non-financial metrics.

Originality/value
Significant research investigates why inequality exists in organizations yet little addresses how to reduce the problem. Pioneer studies in applying goal-setting to diversity show promise. Research exploring the dark side of goal-setting is rapidly emerging. This research pursues the “light side” of goal-setting to evaluate use on social business issues, specifically, increasing diverse representation.