bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reactive molecular dynamics: From small molecules to proteins
Authors: Meuwly Markus 
Published: August 2018

The current status of reactive molecular dynamics (MD) simulations is summarized. Both, methodological aspects and applications to problems ranging from gas phase reaction dynamics to ligand‐binding in solvated proteins are discussed, focusing on extracting information from simulations that cannot easily be obtained from experiments alone. One specific example is the structural interpretation of the ligand rebinding time scales extracted from state‐of‐the art time‐resolved experiments. Atomistic simulations employing validated reactive interaction potentials are capable of providing structural information about the time scales involved. Both, merits and shortcomings of the various methods are discussed and the outlook summarizes possible future avenues such as reactive potentials based on machine learning techniques.This article is categorized under:Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo MethodsTheoretical and Physical Chemistry > Reaction Dynamics and KineticsMolecular and Statistical Mechanics > Molecular Interactions
SwapMob: Swapping Trajectories for Mobility Anonymization
Authors: Salas Julián , Megías David , Torra Vicenç 
Published: August 2018

AbstractMobility data mining can improve decision making, from planning transports in metropolitan areas to localizing services in towns. However, unrestricted access to such data may reveal sensible locations and pose safety risks if the data is associated to a specific moving individual. This is one of the many reasons to consider trajectory anonymization.Some anonymization methods rely on grouping individual registers on a database and publishing summaries in such a way that individual information is protected inside the group. Other approaches consist of adding noise, such as differential privacy, in a way that the presence of an individual cannot be inferred from the data.In this paper, we present a perturbative anonymization method based on swapping segments for trajectory data (SwapMob). It preserves the aggregate information of the spatial database and at the same time, provides anonymity to the individuals.We have performed tests on a set of GPS trajectories of 10,357 taxis during the period of Feb. 2 to Feb. 8, 2008, within Beijing. We show that home addresses and POIs of specific individuals cannot be inferred after anonymizing them with SwapMob, and remark that the aggregate mobility data is preserved without changes, such as the average length of trajectories or the number of cars and their directions on any given zone at a specific time.
Seiberg-Witten period relations in Omega background
Authors: Bourgine Jean-Emile , Fioravanti Davide 
Published: August 2018

AbstractOmega-deformation of the Seiberg-Witten curve is known to be written in terms of the qq-character, namely the trace of a specific operator acting in a Hilbert space spanned by certain Young diagrams. We define a differential form acting on this space and establish two discretised versions of the Seiberg-Witten expressions for the periods and related relations for the prepotential.
Flux compactifications and naturalness
Authors: Buchmuller Wilfried , Dierigl Markus , Dudas Emilian 
Published: August 2018

AbstractFree massless scalars have a shift symmetry. This is usually broken by gauge and Yukawa interactions, such that quantum corrections induce a quadratically divergent mass term. In the Standard Model this leads to the hierarchy problem of the electroweak theory, the question why the Higgs mass is so much smaller than the Planck mass. We present an example where a large scalar mass term is avoided by coupling the scalar to an infinite tower of massive states which are obtained from a six-dimensional theory compactified on a torus with magnetic flux. The series of divergent quantum corrections adds up to zero, and we show explicitly that the shift symmetry of the scalar is preserved in the effective four-dimensional theory despite the presence of gauge and Yukawa interaction terms.
Dating violence perpetration and perceived parental support for fighting and nonviolent responses to conflict: An autoregressive cross‐lagged model
Authors: Garthe Rachel C. , Sullivan Terri N. , Farrell Albert 
Published: August 2018

ABSTRACTIntroductionThe current study examined longitudinal and bidirectional relationships between adolescent perceptions of parental support for fighting and nonviolent responses to conflict and dating violence perpetration. These relationships were examined among a sample of predominately African American youth from an economically disadvantaged urban neighborhood in the United States, a group of adolescents who may be at a high risk for dating violence and for receiving a mixture of parental support for how to respond in conflict situations.MethodParticipants were 1014 early adolescents (51% female, 91% African American) who were currently dating or had been recently dating. Adolescents completed measures on their perceptions of parental support for fighting and nonviolent responses to conflict, as well as dating violence perpetration.ResultsUsing an autoregressive cross‐lagged path analysis across four time points, perceptions of parental support for fighting were inversely associated with changes in perceived parental support for nonviolent responses to conflict, but not with changes in dating violence over time. However, perceived parental support for nonviolent responses to conflict were inversely associated with changes in dating violence perpetration over time.ConclusionsAlthough parents in high‐burden communities may give a mixture of messages about how to handle conflict, encouraging parents to provide messages supporting nonviolent responses to conflict may protect youth from perpetrating violence within their dating relationships. These findings inform future research directions and dating violence prevention programs.
Oral L-citrulline and Transresveratrol Supplementation Improves Erectile Function in Men With Phosphodiesterase 5 Inhibitors: A Randomized, Double-Blind, Placebo-Controlled Crossover Pilot Study
Authors: Shirai Masato , Hiramatsu Ippei , Aoki Yusuke , Shimoyama Hirofumi , Mizuno Taiki , Nozaki Taiji , Fukuhara Shinichiro , Iwasa Atsushi , Kageyama Shinji , Tsujimura Akira 
Published: August 2018

Abstract

Introduction
Phosphodiesterase type 5 inhibitors (PDE5i) are first-line therapy for most men with erectile dysfunction (ED). If ineffective, vacuum erection devices, intracavernous injections, and penile prosthesis implantation are suitable as second- or third-line therapies. However, very few patients select these therapies. It is critically important to improve erectile function with oral administration of effective agents. Administration of L-citrulline or transresveratrol in animal experiments has been reported to improve erectile function, but few such experiments have been performed on humans with ED.

Aim
We aimed to investigate the efficacy of combination therapy of L-citrulline and transresveratrol in patients with ED despite their use of PDE5i.

Methods
In this randomized, double-blind, placebo-controlled crossover pilot study, men with ED (Sexual Health Inventory for Men [SHIM] score below 16) despite on-demand use of PDE5i received a placebo for 1 month or the active treatment (L-citrulline 800 mg/day and transresveratrol 300 mg/day) for another month. Patients continued on-demand use of PDE5i.

Main Outcome Measure
The SHIM score, Erection Hardness Score (EHS), Aging Male Symptoms Scale-sexual domain (AMS-SD), and adverse events were examined.

Results
20 patients ages 29–78 years were enrolled, and after 6 men withdrew, 13 concluded the study without adverse events. Mean SHIM score for the active treatment increased significantly (10.96 ± 1.21) compared with baseline (8.32 ± 1.21) and placebo (8.31 ± 1.23) (both P &lt; .05). Mean EHS score for the active treatment (2.56 ± 0.26) also increased from baseline (2.31 ± 0.26), but not significantly (P = .79). Mean AMS-SD score was not significantly different in either group.

Conclusion
To our knowledge, this is the first study to show that combination therapy of L-citrulline and transresveratrol is effective for ED treatment in men with added on-demand use of PDE5i. This combination supplement may be added if PDE5i is insufficient.
Readiness for an Increase in Congenital Zika Virus Infections in the United States: Geographic Distance to Pediatric Subspecialist Care
Authors: Bertolli Jeanne , Holbrook Joseph , Dutton Nina D. , Jones Bryant , Dowling Nicole F. , Peacock Georgina 
Published: August 2018

ABSTRACTObjectiveThe study’s purpose was to investigate readiness for an increase in the congenital Zika infection (CZI) by describing the distribution of pediatric subspecialists needed for the care of children with CZI.MethodsWe applied county-level subspecialist counts to US maps, overlaying the geocoded locations of children’s hospitals to assess the correlation of hospital and subspecialist locations. We calculated travel distance from census tract centroids to the nearest in-state children’s hospital by state (with/without > 100 reported adult Zika virus cases) and by regions corresponding to the likely local Zika virus transmission area and to the full range of the mosquito vector. Travel distance percentiles reflect the population of children < 5 years old.ResultsOverall, 95% of pediatric subspecialists across the United States are located in the same county or neighboring county as a children’s hospital. In the states where Zika virus transmission is likely, 25% of children must travel more than 50 miles for subspecialty care; in one state, 50% of children must travel > 100 miles.ConclusionThe travel distance to pediatric subspecialty care varies widely by state and is likely to be an access barrier in some areas, particularly states bordering the Gulf of Mexico, which may have increasing numbers of CZI cases. (Disaster Med Public Health Preparedness. 2019;13:476-486)
Change detection in a Marine Protected Area (MPA) over three decades on Bonaire, Dutch Caribbean
Authors: Relles N. J. , Patterson M. R. , Jones D. O. B. 
Published: August 2018

AbstractThe island of Bonaire is a long-established Marine Protected Area (MPA), the reefs of which were extensively mapped in the early 1980s. Satellite remote sensing techniques were used to construct reef maps for 2008–2009. Metrics describing the spatial structure of coral habitat at the landscape scale – including coral cover, fragmentation, patch size and connectivity between patches – were calculated and compared between these two time periods. Changes were evaluated in and out of the MPAs and in areas exposed and sheltered from storm damage. Overall, coral cover has declined during the past three decades, being replaced by sand, but the decline has not been as drastic as elsewhere in the Caribbean. Fragmentation of the reef habitat has occurred, resulting in smaller and more disparate patches, but these changes were not associated with exposure along the coastline. However, total coral cover was maintained in sheltered areas, whereas it declined along exposed shorelines. Human protection of reefs by marine reserves had variable effects on coral cover and fragmentation. One of two no-diving marine reserves showed increases in coral cover accompanied by decreases in the number of patches of coral and an increase in the size of individual patches over the time period, while the second reserve exhibited the opposite trend. Advances in satellite remote sensing techniques allow for a more rapid assessment of changes in reefs at the landscape level, which can be used to identify spatial changes in the reef environment, including areas of coral decline.
Validation of the first annulus and growth model fit for the cardinalfish (Epigonus crassicaudus)
Authors: Moyano Guillermo , Cerna Francisco , Ojeda Vilma , Plaza Guido 
Published: August 2018

AbstractAge and growth parameters were estimated for the deep-sea cardinalfish (Epigonus crassicaudus) from sagittal otoliths collected between 2012 and 2015 onboard commercial fishing vessels from the South-east Pacific off Chile between 33°04′S and 41°46′S. Von Bertalanffy growth parameters (VBGP) were estimated from assumed annual otolith growth zone counts. The verification of the first annulus of sagittal otoliths was determined by examining in detail daily micro-increments. These data helped inform the interpretation of the annual growth zones from transverse otolith sections. The von Bertalanffy growth model estimated to length-at-age data were asymptotic length (L∞) of 34.1 cm fork length (FL), a growth coefficient (k) of 0.1 cm/year and at-zero (t0) of −0.85. The maximum ages observed were 67 and 65 years for female and male fish, respectively.
Callous and uncaring traits are associated with reductions in amygdala volume among youths with varying levels of conduct problems
Authors: Cardinale Elise M. , O'Connell Katherine , Robertson Emily L. , Meena Lydia B. , Breeden Andrew L. , Lozier Leah M. , VanMeter John W. , Marsh Abigail A. 
Published: August 2018

AbstractBackgroundThe emergence of callous unemotional (CU) traits, and associated externalizing behaviors, is believed to reflect underlying dysfunction in the amygdala. Studies of adults with CU traits or psychopathy have linked characteristic patterns of amygdala dysfunction to reduced amygdala volume, but studies in youths have not thus far found evidence of similar amygdala volume reductions. The current study examined the association between CU traits and amygdala volume by modeling CU traits and externalizing behavior as independent continuous variables, and explored the relative contributions of callous, uncaring, and unemotional traits.MethodsCU traits and externalizing behavior problems were assessed in 148 youths using the Inventory of Callous Unemotional Traits (ICU) and the Child Behavior Checklist (CBCL). For a subset of participants (n= 93), high-resolution T1-weighted images were collected and volume estimates for the amygdala were extracted.ResultsAnalyses revealed that CU traits were associated with increased externalizing behaviors and decreased bilateral amygdala volume. These results were driven by the callous and uncaring sub-factors of CU traits, with unemotional traits unrelated to either externalizing behaviors or amygdala volume. Results persisted after accounting for covariation between CU traits and externalizing behaviors. Bootstrap mediation analyses indicated that CU traits mediated the relationship between reduced amygdala volume and externalizing severity.ConclusionsThese findings provide evidence that callous-uncaring traits account for reduced amygdala volume among youths with conduct problems. These findings provide a framework for further investigation of abnormal amygdala development as a key causal pathway for the development of callous-uncaring traits and conduct problems.
Effectiveness of psychotherapy for treatment-resistant depression: a meta-analysis and meta-regression
Authors: van Bronswijk Suzanne , Moopen Neha , Beijers Lian , Ruhe Henricus G. , Peeters Frenk 
Published: August 2018

AbstractDespite substantial advances in treatment and management strategies for major depression, less than 50% of patients respond to first-line antidepressant treatment or psychotherapy. Given the growing number of controlled studies of psychotherapy for treatment-resistant depression (TRD) and the preference for psychotherapy of depressed subjects as a treatment option, we conducted a meta-analysis and meta-regression analysis to investigate the effectiveness of psychotherapy for TRD. Seven different psychotherapies were studied in 21 trials that included a total of 25 comparisons. In three comparisons of psychotherapy v. treatment as usual (TAU) we found no evidence to conclude that there is a significant benefit of psychotherapy as compared with TAU. In 22 comparisons of add-on psychotherapy plus TAU v. TAU only, we found a moderate general effect size of 0.42 (95% CI 0.29–0.54) in favor of psychotherapy plus TAU. The meta-regression provided evidence for a positive association between baseline severity as well as group v. individual therapy format with the treatment effect. There was no evidence for publication bias. Most frequent investigated treatments were cognitive behavior therapy, interpersonal psychotherapy, mindfulness-based cognitive therapy, and cognitive behavioral analysis system of psychotherapy. Our meta-analysis provides evidence that, in addition to pharmacological and neurostimulatory treatments, the inclusion of add-on of psychotherapy to TAU in guidelines for the treatment of TRD is justified and will provide better outcomes for this difficult-to-treat population.
Cognitive ability as a moderator of the association between social disadvantage and psychological distress: evidence from a population-based sample
Authors: Bridger Emma , Daly Michael 
Published: August 2018

AbstractBackgroundSocial disadvantage consistently predicts both self-reported distress and clinically diagnosed disorders such as depression. Yet, many individuals who are exposed to disadvantage do not report high levels of distress. This study extends our recent work showing that high cognitive ability may protect against the negative health consequences of exposure to disadvantaged backgrounds. We test whether this ‘buffer effect’ exists across clinically relevant indices of mental health in a population-representative sample.MethodsIn total, 27 985 participants were drawn from the UK Household Longitudinal Study (Understanding Society). Clinical diagnoses of depression and clinically relevant measures of psychological distress [i.e. Short Form-12 (SF-12) Mental Component, General Health Questionnaire (GHQ)] and trait neuroticism were assessed. Cognitive ability was derived from performance on word recall, verbal fluency and numerical ability tasks. Early-life disadvantage was gauged using family background measures assessing parental education and occupation at age 14.ResultsBackground disadvantage predicted increased levels of reported psychological distress and neuroticism. These associations were moderated by cognitive ability. Across all available mental health measures, the negative association between early-life disadvantage and poor adult mental health was strongest at low (−1s.d.) cognitive ability and was no longer evident at high (+1s.d.) levels of cognitive ability.ConclusionsThe results provide support for a cognitive buffering hypothesis linking high cognitive ability to a decrease in the magnitude of the social gradient in mental health. Those disadvantaged by both low socioeconomic status and low cognitive ability may benefit from targeted prevention and treatment programmes aiming to reduce socioeconomic disparities in mental health.
Retiring from the police service in England and Wales: a multi-dimensional perspective
Authors: Bullock Karen , Fielding Jane , Hieke Graham 
Published: August 2018

AbstractThe experiences of police officers who have retired from the police service have rarely comprised the focus of empirical studies in England and Wales. Drawing on the findings of a survey of former police officers, this article examines the circumstances within which officers leave the service and aspects of the transition to retirement. We find that that certain individual, role and organisational factors come together to explain how the transition to retirement is experienced by police officers. We conceptualise police retirement as a multi-dimensional process during which a number of factors may come into play and have different effects depending on the circumstances in which retirement occurs. Findings are considered in light of wider conceptualisations of the process of retirement and implications are discussed.
Closed-loop control of bevel-tip needles based on path planning
Authors: Huo Benyan , Zhao Xingang , Han Jianda , Xu Weiliang 
Published: August 2018

SUMMARYBevel-tip needles have the potential to improve paracentetic precision and decrease paracentetic traumas. In order to drive bevel-tip needles precisely with the constrains of path length and path dangerousness, we propose a closed-loop control method that only requires the position of the needle tip and can be easily applied in a clinical setting. The control method is based on the path planning method proposed in this paper. To establish the closed-loop control method, a kinematic model of bevel-tip needles is first presented, and the relationship between the puncture path and controlled variables is established. Second, we transform the path planning method into a multi-objective optimization problem, which takes the path error, path length and path dangerousness into account. Multi-objective particle swarm optimization is employed to solve the optimization problem. Then, a control method based on path planning is presented. The current needle tip attitude is essential to plan an insertion path. We analyze two methods to obtain the tip attitude and compare their effects using both simulations and experiments. In the end, simulations and experiments in phantom tissue are executed and analyzed, the results show that our methods have high accuracy and have the ability to deal with the model parameter uncertainty.
Children’s propensity to consume sugar and fat predicts regular alcohol consumption in adolescence
Authors: Mehlig Kirsten , Bogl Leonie H , Hunsberger Monica , Ahrens Wolfgang , De Henauw Stefaan , Iguacel Isabel , Jilani Hannah , Molnár Dénes , Pala Valeria , Russo Paola , Tornaritis Michael , Veidebaum Toomas , Kaprio Jaakko , Lissner Lauren 
Published: August 2018

AbstractObjectiveThe present study investigated the association between sugar and fat intake in childhood in relation to alcohol use in adolescence. We hypothesized that early exposure to diets high in fat and sugar may affect ingestive behaviours later in life, including alcohol use.Design/Setting/SubjectsChildren from the European IDEFICS/I.Family cohort study were examined at ages 5–9 years and followed up at ages 11–16 years. FFQ were completed by parents on behalf of children, and later by adolescents themselves. Complete data were available in 2263 participants. Children’s propensities to consume foods high in fat and sugar were calculated and dichotomized at median values. Adolescents’ use of alcohol was classified as at least weekly v. less frequent use. Log-binomial regression linked sugar and fat consumption in childhood to risk of alcohol use in adolescence, adjusted for relevant covariates.ResultsFive per cent of adolescents reported weekly alcohol consumption. Children with high propensity to consume sugar and fat were at greater risk of later alcohol use, compared with children with low fat and low sugar propensity (relative risk=2·46; 95 % CI 1·47, 4·12), independent of age, sex and survey country. The association was not explained by parental income and education, strict parenting style or child's health-related quality of life and was only partly mediated by sustained consumption of sugar and fat into adolescence.ConclusionsFrequent consumption of foods high in fat and sugar in childhood predicted regular use of alcohol in adolescence.