bluuebunny/crossref_metadata_2025_split huggingface dataset:
Atomistics of pre-nucleation layering of liquid metals at the interface with poor nucleants
Authors: Ma Sida , Brown Adam J. , Yan Rui , Davidchack Ruslan L. , Howes Paul B. , Nicklin Chris , Zhai Qijie , Jing Tao , Dong Hongbiao 
Published: December 2018

AbstractLiquid layering at heterogeneous solid/liquid interfaces is a general phenomenon, which provides structural templates for nucleation of crystalline phases on potent nucleants. However, its efficacy near poor nucleants is incompletely understood. Here we use a combination of X-ray crystal truncation rod analysis and ab initio molecular dynamics to probe the pre-nucleation liquid layering at the sapphire–aluminium solid/liquid interface. At the sapphire side, a ~1.6 aluminium-terminated structure develops, and at the liquid side, two pre-nucleation layers emerge at 950 K. No more pre-nucleation layer forms with decreasing temperature indicating that nucleation of crystalline aluminium through layer-by-layer atomic adsorption of liquid atoms is not favoured. Instead, the appearance of stochastically-formed nuclei near the substrate is supported by our experiments. Nucleation on poor nucleants is dominated by the stochastic nucleation events which are substantially influenced by the pre-nucleation layers that determine the surface structure in contact with the nuclei.
Energy disorder and energy level alignment between host and dopant in organic semiconductors
Authors: Li Peicheng , Ingram Grayson , Lee Jae-Jin , Zhao Yongbiao , Lu Zheng-Hong 
Published: December 2018

AbstractEnergy level alignment between host and dopant molecules plays a critical role in exciton formation and harvesting in light emission zone of organic light-emitting diodes. Understanding the mechanism for predicting energy level alignment is thus important in materials selection for fabricating high-performance organic light-emitting devices. Here we show that host-dopant energy level alignment strongly depends on film thickness and substrate work function by using X-ray and ultraviolet photoemission spectroscopy. Invariant Gaussian density of states fails to explain the experimental data. We speculate that energy disorder in molecules next to the surface dictates the alignment. Ultraviolet photoemission spectroscopy measurements of several archetypical organic semiconductors confirm our speculation. An empirical interface disorder function is derived and used to construct a functional Gaussian density of states to compute host energy levels. Host-dopant energy level alignment is then computed by applying the universal energy alignment rule and is found in excellent agreement with the experimental data.
Perspektien digitaler Diabetesprävention: wo wollen wir hin?
Authors: Lantzsch Hendrikje , Harst Lorenz , Timpel Patrick 
Published: December 2018

ZUSAMMENFASSUNGEs ist ein steigendes praktisches und wissenschaftliches Interesse an digitalen Gesundheitsanwendungen wie telemedizinischen Ansätzen zur Steigerung des Diabetesselbstmanagements (DSM) bei Diabetes mellitus Typ 2 zu beobachten. Neben der klinischen Wirksamkeit und Kosteneffektivität von Telemedizin sollten jedoch auch Faktoren, die die Akzeptanz von Telemedizinanwendungen beeinflussen, beachtet werden. Wissenschaftliche Studien legen dabei nahe, dass digitale Ansätze zur Verbesserung des Diabetesselbstmanagement auf behavioristischen Theorien basieren sollten. Eine langfristige Implementierung kann durch die Analyse akzeptanzfördernder Faktoren, wie individuellen Charakteristika des Endnutzers und dessen Einstellungen zu Eigenschaften der technischen Lösungen, unterstützt werden. Methodische Herausforderungen bei der Evaluation von telemedizinischen Anwendungen und deren heterogene Evaluationspraxis haben bisher zu einer limitierten Datenbasis geführt. Innovative Studiendesigns und konzertierte Evaluationsansätze können die steigende Verfügbarkeit digitaler Gesundheitsanwendungen durch evidenzbasierte Empfehlungen begleiten.
Perioperative Care Considerations and Management of Complications Involving Surgical and Technology Procedures
Authors: Gentile Richard 
Published: December 2018

AbstractTechnology impacts the lives of everyone nowadays and has had perhaps a greater impact on the lives of facial plastic surgeons and the patients they seek to help with both surgery and procedures. This article will discuss modern technology's impact on intervening in the aging process including technology used for facial and skin rejuvenation and reconstruction concentrating on the techniques and care to minimize complications as well as dealing with complication from the treatments.
General Precautions and Safety Aspects of Facial Laser Treatment
Authors: Metelmann Hans-Robert , Heppt Markus , Feller Gabriele , Vent Julia , Heppt Werner 
Published: December 2018

AbstractThe current overview of laser radiation therapy options and the legal aspects of the head and neck region provides insight into the available laser hardware, discusses the indications and treatment options and risks, as well as the necessary precautions to be taken when operating a laser device. Further handling recommendations and requirements for the laser devices are drawn and the question of transferring tasks to nonmedical personnel is discussed. The reader should get an idea about the benefits and risks of using lasers in treating patients and be able to set the precise indication on the background of possibilities, adverse effects, and legal aspects.
Postoperative Management of Cleft Lip and Palate Surgery
Authors: Raghavan Ullas , Rao Dipesh , Ullas Gautham , Vijayadev Vishwas 
Published: December 2018

AbstractCleft lip and palatal clefts are one of the most common birth defects with a global incidence of 1 in 700 live births. The majority of these orofacial clefts are nonsyndromic. However, a general screening for syndromes and other organ anomalies should always be performed as their association with orofacial clefts cannot be overlooked. With the recent progress in the knowledge of cleft repair, the procedures to correct cleft lip and palate though complex, have been simplified to allow improvisation in outcome and to achieve even better finesse of surgical result. The procedural complications and the pursuit of having near perfect esthetics and functionality, make this deformity a recipient of multiple procedures. This ensures that the patient is under the care of the treating surgeon for long term and allows the surgeon to follow-up on the result, not only to provide care but also to intercept any deviation in the desired outcome. Postoperative care of cleft lip and palate surgery is largely underdiscussed and a set of fixed guidelines will help the treating surgeon to provide the most comprehensive care to the cleft patients. The authors review the practices followed at their hospitals—a high volume cleft and craniofacial care center, a tertiary care multispeciality teaching hospital, and a community teaching and training hospital. The commonly followed practices with suitable evidence in postoperative care of these patients are enlisted here.
Cervical Length as a Predictor of Preterm Delivery in an Unselected Cohort of Women with Twin Pregnancies
Authors: Brock Clifton O. , Moroz Leslie A. , Gyamfi-Bannerman Cynthia 
Published: December 2018

Objective To determine the risk of spontaneous preterm delivery (SPTD) associated with transvaginal cervical length (TVCL) in an unselected cohort.
Study Design This is a retrospective study of serial TVCLs in unselected twin gestations. Receiver operator curves for SPTD were constructed from TVCLs at 18, 20, 22, and 24 weeks. Prediction thresholds were determined using a false discovery rate of 10%. The risk of SPTD was compared with previously published, prospective data from a meta-analysis.
Results A total of 1,228 women were included. SPTD occurred prior to 35 weeks in 232 (18.9%), 126 (10.3%), and 24 (2.0%) women prior to 35, 32, and 28 weeks. TVCL was most predictive at 22 weeks (area under the curve = 0.67). TVCL thresholds for predicting SPTD prior to 35, 32, and 28 weeks were 3.1, 3.0, and 2.9 cm. Compared with a previous meta-analysis, the risk of SPTD < 34, 32, and 28 weeks was lower (positive likelihood ratio 9.0 vs. 5.4, 10.1 vs. 5.9, and 9.6 vs. 4.3).
Conclusion TVCL is modestly predictive of SPTD in twin gestations. Compared with previous prospective studies, this cohort has lower risk of SPTD at similar TVCLs.
Prognostic Impact of Soluble P-Selectin on Long-Term Adverse Cardiovascular Outcomes in Patients Undergoing Percutaneous Coronary Intervention
Authors: Tscharre Maximilian , Vogel Birgit , Tentzeris Ioannis , Freynhofer Matthias , Rohla Miklos , Wojta Johann , Weiss Thomas , Ay Cihan , Huber Kurt , Farhan Serdar 
Published: December 2018

Background Soluble P-selectin (sP-selectin), a biomarker of inflammatory pathologies including cardiovascular disease, is known to have pro-atherosclerotic effects such as the ability to increase leukocyte recruitment and modulate thrombotic response. We aimed to assess the impact of sP-selectin on long-term major adverse cardiovascular events (MACE) in patients after coronary stenting for coronary artery disease.
Methods We analysed 733 patients of a single-centre registry undergoing percutaneous coronary intervention (PCI) between 2003 and 2006. Plasma samples were analysed for sP-selectin antigen concentration with an enzyme-linked immunoassay. The study population was categorized according to sP-selectin quartiles. Endpoint of the study was long-term MACE, a composite of all-cause death, myocardial infarction (MI) and stroke.
Results Of the total patient cohort, 361 (49.2%) patients were admitted for stable coronary artery disease and 372 (50.8%) for acute coronary syndrome. Median age was 64 years and 70.7% were male. After a mean follow-up period of 9.7 years, MACE occurred in 344 (46.9%) patients. The primary endpoint components of all-cause death occurred in 211 (28.8%), MI in 88 (12.0%) and ischaemic stroke in 45 (6.1%) patients. After adjustment for confounders, patients in the 2nd, 3rd and 4th quartile were at higher risk for MACE compared with the 1st quartile (hazard ration [HR], 1.234 [0.899–1.695], p = 0.193; HR, 1.480 [1.085–2.019], p = 0.013; and HR, 1.571 [1.115–2.152], p = 0.004). sP-selectin as continuous variable model was significantly associated with MACE after adjustment (HR per 1 ng/mL increase of 1.009 [95% confidence interval, 1.002–1.017]; p = 0.016).
Conclusion Elevated levels of sP-selectin were associated with increased risk for long-term MACE in patients undergoing PCI.
The Relative Financial Cost and Benefit of an Ophthalmology Resident Compared to an Advanced Practice Provider, Optometrist, or Faculty Ophthalmologist
Authors: Moore Daniel , Barr William 
Published: December 2018

Objective The main objective of the article is to determine the relative direct financial cost and benefit of an advanced practice provider (APP), optometrist, and faculty ophthalmologist compared with an ophthalmology resident.
Design Single center cost–benefit financial analysis.
Methods The direct total expenses, including mean salary and benefits; the cost/week, based upon calculated hours worked; and net revenue, based upon technical collections subtracted from total expenses were collected for all APPs, optometrists, faculty ophthalmologists, and ophthalmology residents at the University of Kentucky for the 2016 to 2017 academic year. Optometry and ophthalmology faculty collections were adjusted for clinical full-time equivalents.
Results Total annual mean salary and benefits for 242 APPs, 4 optometrists, 17 faculty ophthalmologists, and 9 ophthalmology residents were $126,797, $117,021, $338,233, and $71,210, respectively. Assuming a 50-hour-work week, the calculated hourly costs were $48.77, $45.01, $130.09, and $27.39, respectively. Ophthalmology residents do not directly generate work relative value units or collections. On this basis, the net annual revenues were −$62,729, $122,757, $566,119, and −$71,210, respectively.
Conclusions Ophthalmology residents are relatively inexpensive compared with potential substitute health care providers, although they are unable to generate direct revenue. Indirect costs and benefits are likely substantial, but currently incalculable. More candid analyses of the role and financial impact of trainees in health care are needed.
Heredity as a burden: causes of children’s behavioural problems in Finnish psychiatry between the 1920s and 1950s
Authors: Parhi Katariina 
Published: December 2018

AbstractThis article analyses interpretations of the causes of children’s behavioural problems in early child psychiatry in Finland from the 1920s until the 1950s. The era was pre-psychodynamic, and psychiatrists stressed biological explanations, which were based on hereditary factors. The source material consists of patient records of children diagnosed with psychopathy in Pitkäniemi Hospital, which operated as one of the state mental hospitals. The focus is on the ways in which the causes of behavioural problems were described, paying special attention to mentions of socioeconomic factors, and adopting a present-centred perspective on analysing the past. Although psychiatrists described details like family background and parental occupations, they did not necessarily use them to point out connections between socioeconomic factors and behavioural problems. On the contrary, in many cases, there was no indicated correlation. This is not to say that socioeconomic factors did not exist or were not acknowledged, but rather that they were discussed in a different light. The assumption of biologically oriented psychiatry, namely that behavioural problems were primarily hereditary, is prevalent in the case records. Some children improved while in hospital and subsequently returned home, or were placed with other families, or in children’s homes. Those who were perceived to be permanently antisocial were placed in reform schools. The change in a child’s behaviour seems to have been crucial in forming a prognosis, which implies that there was a clear belief in the curative atmosphere of the hospital, providing that the child’s character was corrigible. The focus on socioeconomic factors contrasts with the ways in which psychiatrists at that time perceived and documented the causes of behavioural problems, and helps explain why something, which seems evident in retrospect, was not apparent at the time.
Switch between critical percolation modes in city traffic dynamics
Authors: Zeng Guanwen , Li Daqing , Guo Shengmin , Gao Liang , Gao Ziyou , Stanley H. Eugene , Havlin Shlomo 
Published: December 2018

Significance
With the same static road network, it is essentially unknown for urban traffic if traffic flows have the same spatial organization properties for different hours. Based on real-time high-resolution GPS data on the city scale, our results indicate two distinct modes characterized by different percolation critical exponents. The mode during rush hours on working days behaves like a 2D lattice with mainly short-range links, while the mode for other instants behaves like a small world (i.e., a lattice with long-range links). The difference between these two modes is explained here by the free flow on urban highways during nonrush hours, which is like adding long-range links in a 2D lattice. In contrast, during rush hours, such links almost disappear.
Mapping Occupational Hazards with a Multi-sensor Network in a Heavy-Vehicle Manufacturing Facility
Authors: Zuidema Christopher , Sousan Sinan , Stebounova Larissa V , Gray Alyson , Liu Xiaoxing , Tatum Marcus , Stroh Oliver , Thomas Geb , Peters Thomas , Koehler Kirsten 
Published: December 2018

AbstractDue to their small size, low-power demands, and customizability, low-cost sensors can be deployed in collections that are spatially distributed in the environment, known as sensor networks. The literature contains examples of such networks in the ambient environment; this article describes the development and deployment of a 40-node multi-hazard network, constructed with low-cost sensors for particulate matter (SHARP GP2Y1010AU0F), carbon monoxide (Alphasense CO-B4), oxidizing gases (Alphasense OX-B421), and noise (developed in-house) in a heavy-vehicle manufacturing facility. Network nodes communicated wirelessly with a central database in order to record hazard measurements at 5-min intervals. Here, we report on the temporal and spatial measurements from the network, precision of network measurements, and accuracy of network measurements with respect to field reference instruments through 8 months of continuous deployment. During typical production periods, 1-h mean hazard levels ± standard deviation across all monitors for particulate matter (PM), carbon monoxide (CO), oxidizing gases (OX), and noise were 0.62 ± 0.2 mg m−3, 7 ± 2 ppm, 155 ± 58 ppb, and 82 ± 1 dBA, respectively. We observed clear diurnal and weekly temporal patterns for all hazards and daily, hazard-specific spatial patterns attributable to general manufacturing processes in the facility. Processes associated with the highest hazard levels were machining and welding (PM and noise), staging (CO), and manual and robotic welding (OX). Network sensors exhibited varying degrees of precision with 95% of measurements among three collocated nodes within 0.21 mg m−3 for PM, 0.4 ppm for CO, 9 ppb for OX, and 1 dBA for noise of each other. The median percent bias with reference to direct-reading instruments was 27%, 11%, 45%, and 1%, for PM, CO, OX, and noise, respectively. This study demonstrates the successful long-term deployment of a multi-hazard sensor network in an industrial manufacturing setting and illustrates the high temporal and spatial resolution of hazard data that sensor and monitor networks are capable of. We show that network-derived hazard measurements offer rich datasets to comprehensively assess occupational hazards. Our network sets the stage for the characterization of occupational exposures on the individual level with wireless sensor networks.
DeepPhos: prediction of protein phosphorylation sites with deep learning
Authors: Luo Fenglin , Wang Minghui , Liu Yu , Zhao Xing-Ming , Li Ao 
Published: December 2018

Abstract

Motivation
Phosphorylation is the most studied post-translational modification, which is crucial for multiple biological processes. Recently, many efforts have been taken to develop computational predictors for phosphorylation site prediction, but most of them are based on feature selection and discriminative classification. Thus, it is useful to develop a novel and highly accurate predictor that can unveil intricate patterns automatically for protein phosphorylation sites.

Results
In this study we present DeepPhos, a novel deep learning architecture for prediction of protein phosphorylation. Unlike multi-layer convolutional neural networks, DeepPhos consists of densely connected convolutional neuron network blocks which can capture multiple representations of sequences to make final phosphorylation prediction by intra block concatenation layers and inter block concatenation layers. DeepPhos can also be used for kinase-specific prediction varying from group, family, subfamily and individual kinase level. The experimental results demonstrated that DeepPhos outperforms competitive predictors in general and kinase-specific phosphorylation site prediction.

Availability and implementation
The source code of DeepPhos is publicly deposited at https://github.com/USTCHIlab/DeepPhos.

Supplementary information
Supplementary data are available at Bioinformatics online.
UbiHub: a data hub for the explorers of ubiquitination pathways
Authors: Liu Lihua , Damerell David R , Koukouflis Leonidas , Tong Yufeng , Marsden Brian D , Schapira Matthieu 
Published: December 2018

Abstract

Motivation
Protein ubiquitination plays a central role in important cellular machineries such as protein degradation or chromatin-mediated signaling. With the recent discovery of the first potent ubiquitin-specific protease inhibitors, and the maturation of proteolysis targeting chimeras as promising chemical tools to exploit the ubiquitin-proteasome system, protein target classes associated with ubiquitination pathways are becoming the focus of intense drug-discovery efforts.

Results
We have developed UbiHub, an online resource that can be used to visualize a diverse array of biological, structural and chemical data on phylogenetic trees of human protein families involved in ubiquitination signaling, including E3 ligases and deubiquitinases. This interface can inform target prioritization and drug design, and serves as a navigation tool for medicinal chemists, structural and cell biologists exploring ubiquitination pathways.

Availability and implementation
https://ubihub.thesgc.org.
SIAN: software for structural identifiability analysis of ODE models
Authors: Hong Hoon , Ovchinnikov Alexey , Pogudin Gleb , Yap Chee 
Published: December 2018

Abstract

Summary
Biological processes are often modeled by ordinary differential equations with unknown parameters. The unknown parameters are usually estimated from experimental data. In some cases, due to the structure of the model, this estimation problem does not have a unique solution even in the case of continuous noise-free data. It is therefore desirable to check the uniqueness a priori before carrying out actual experiments. We present a new software SIAN (Structural Identifiability ANalyser) that does this. Our software can tackle problems that could not be tackled by previously developed packages.

Availability and implementation
SIAN is open-source software written in Maple and is available at https://github.com/pogudingleb/SIAN.

Supplementary information
Supplementary data are available at Bioinformatics online.
Galaxy mothur Toolset (GmT): a user-friendly application for 16S rRNA gene sequencing analysis using mothur
Authors: Hiltemann Saskia D , Boers Stefan A , van der Spek Peter J , Jansen Ruud , Hays John P , Stubbs Andrew P 
Published: December 2018

Abstract

Background
The determination of microbial communities using the mothur tool suite (https://www.mothur.org) is well established. However, mothur requires bioinformatics-based proficiency in order to perform calculations via the command-line. Galaxy is a project dedicated to providing a user-friendly web interface for such command-line tools (https://galaxyproject.org/).

Results
We have integrated the full set of 125+ mothur tools into Galaxy as the Galaxy mothur Toolset (GmT) and provided a set of workflows to perform end-to-end 16S rRNA gene analyses and integrate with third-party visualization and reporting tools. We demonstrate the utility of GmT by analyzing the mothur MiSeq standard operating procedure (SOP) dataset (https://www.mothur.org/wiki/MiSeq_SOP).

Conclusions
GmT is available from the Galaxy Tool Shed, and a workflow definition file and full Galaxy training manual for the mothur SOP have been created. A Docker image with a fully configured GmT Galaxy is also available.