bluuebunny/crossref_metadata_2025_split huggingface dataset:
Forging of Hierarchical Multiscale Capabilities for Simulation of Energetic Materials
Authors: Barnes Brian C. , Leiter Kenneth W. , Larentzos James P. , Brennan John K. 
Published: December 2019

AbstractWe present new capabilities for investigation of microstructure in energetic material response for both explicit large‐scale and multiscale simulations. We demonstrate the computational capabilities by studying the effect of porosity on the reactive shock response of a coarse‐grain (CG) model of the energetic material cyclotrimethylene trinitramine (RDX), the non‐reactive equation of state for a porous representative volume element (RVE) of CG RDX, and utilization of available supercomputing resources for speculative sampling to accelerate hierarchical multiscale simulations. Small amounts of porosity (up to 4 %) are shown to have significant effect on the initiation of reactive CG RDX using large‐scale reactive dissipative particle dynamics simulations. Non‐reactive RVEs are shown to undergo a porosity‐dependent pore collapse at hydrostatic conditions, and an existing automation framework is shown to be easily modified for the incorporation of microstructure while retaining reliable convergence properties. A novel predictive sampling method based on use of kernel density estimators is shown to effectively accelerate time‐to‐solution in a multiscale simulation, scaling with free CPU cores, while making no assumptions about the underlying physics for the data being analyzed. These multidisciplinary studies of distinct yet connected problems combine to provide methodological insights for high‐fidelity modeling of reactive systems with microstructure.
Effects of cinnamon supplementation on body weight and composition in adults: A systematic review and meta‐analysis of controlled clinical trials
Authors: Yazdanpanah Zeinab , Azadi‐Yazdi Maryam , Hooshmandi Hadis , Ramezani‐Jolfaie Nahid , Salehi‐Abargouei Amin 
Published: December 2019

BackgroundThis systematic review and meta‐analysis aimed to investigate the effect of cinnamon on body weight, body mass index (BMI), waist circumference (WC), waist–hip ratio (WHR), and body fat mass including the maximum number of studies.MethodsMedline, ISI Web of Science, Scopus, Google Scholar, and Cochrane library were searched with no limitation from inception up to August 2019 for relevant randomized controlled clinical trials (RCTs). The RCTs' risk of bias was assessed using the Cochrane collaboration's tool. Random‐effects model was used for meta‐analysis.ResultsTwenty‐one RCTs with 1,480 participants were included. The meta‐analysis showed that cinnamon supplementation significantly reduces BMI [weighted mean difference (WMD) = −0.40 kg/m2, 95% confidence interval (CI): −0.57, −0.22 kg/m2,p< .001,I2= 78.9%], body weight (WMD = −0.92 kg; 95% CI: −1.51, −0.33 kg;p= .002;I2= 84.2%), and WHR (WMD = −0.02, 95% CI: −0.038, −0.018;p< 0.001;I2= 0%). Cinnamon supplementation did not significantly affect the WC (WMD = −1.76 cm, 95% CI: −3.57, −0.045 cm;p= .056;I2= 90.8%) and body fat mass (WMD = −0.87%, 95% CI: −1.87, 0.025%;p= .057;I2= 78.6%).ConclusionCinnamon supplementation significantly reduces body weight, BMI, and WHR. Future high‐quality long‐term RCTs are recommended to confirm these results.
Thermal desorption and pyrolysis direct analysis in real time mass spectrometry for qualitative characterization of polymers and polymer additives
Authors: Cody Robert B. , Fouquet Thierry N.J. , Takei Chikako 
Published: December 2019

RationaleDirect analysis in real time mass spectrometry (DART‐MS) provides qualitative information about additives and polymer composition. However, the observed mass spectra are dependent on sampling conditions, in particular the DART gas temperature. This report describes the combination of a heated sample stage with DART‐MS for polymer characterization.MethodsIndustrial polymers with different compositions were examined by thermal desorption and pyrolysis (TDPy) DART. Samples were heated on disposable copper stages from ambient temperature to 600°C, and the evolved gases were introduced directly into a DART ion source through a glass tee. Time‐ and temperature‐dependent mass spectra were acquired using a high‐resolution time‐of‐flight mass spectrometer. Kendrick mass analysis was applied to the interpretation of complex mass spectra observed for fluorinated polymers.ResultsPositive‐ion DART mass spectra of common polymers exhibited peak series differing by monomer masses, often accompanied by a peak corresponding to the protonated monomer. Even polymers that did not exhibit a clear series of peaks produced characteristic mass spectra. Positive‐ion and negative‐ion mass spectra were recorded for fluorinated polymers, with polytetrafluoroethylene (PTFE) producing only negative ions. Thermal desorption provided characteristic temperature profiles for volatile species such as polymer additives and polymer pyrolysis products.ConclusionsIn comparison with direct analysis by positioning sample directly in the heated DART gas stream, TDPy DART provides a more versatile sampling method and provides thermal separation and profiling of polymer additives, intact short polymer chains, and pyrolysis fragments.
Applications of ESEM on Materials Science: Recent Updates and a Look Forward
Authors: Zhang Zhouyang , Zhou Yangbo , Zhu Xinli , Fei Linfeng , Huang Haitao , Wang Yu 
Published: December 2019

AbstractThe microscopic understanding of materials relies on the development of microscopy. Historically, the technological evolution from optical microscopes to electron microscopes has directly stimulated many discoveries of new physical and chemical fundamentals as well as advanced materials. Scanning electron microscopy (SEM) is, undoubtedly, the most widely used tool for microscopic characterization in modern materials science. Especially, the incorporation of a gas pressure around the sample area of conventional SEM, i.e., the environmental scanning electron microscope (ESEM), has opened new possibilities in observing samples in their natural states, leading to unprecedented chances for studying the details of biological, organic, and hydrated samples. What is more, in recent years, in situ ESEM studies concerning materials change and chemical reactions have played a more important role in the field of materials science. Herein, the recent applications of ESEM in materials science are comprehensively reviewed, in terms of common static observations for various materials and in situ investigations of dynamic processes in controlled experimental environments. Moreover, the problems concerning state‐of‐the‐art ESEM experiments are discussed, as well as possible solutions. Looking forward, the rapid developments on instrumentation and fundamental science of ESEM can bring a clear vision of materials in the near future.
Evaluating the evidence base for evidence‐based instructional practices in chemistry through meta‐analysis
Authors: Rahman Tawabur , Lewis Scott E. 
Published: December 2019

AbstractInvestigating the effectiveness of instructional practices provides an evidence base to inform instructional decisions. Synthesizing research studies on instructional effectiveness provides an estimate of the generalizability of effectiveness across settings, along with an exploration of factors that may moderate the impact, which cannot be achieved within individual studies. This study sought to provide a synthesis of evidence‐based instructional practices (EBIPs) particular to chemistry through meta‐analysis. Ninety‐nine studies were analyzed comprising a broader view of chemistry specific studies than past meta‐analyses. The results showed that EBIPs feature a demonstrably positive impact on students' academic performance in chemistry, although assessment topic coverage and setting size emerged as relevant moderators of impact and prevented making definitive conclusions of the relative impact of each EBIP. In examining publication bias, an asymmetric distribution of studies based on standard error (SE) and effect size was found, indicative of potential publication bias. To explore the potential impact of bias, the trim and fill method was employed resulting in a range for the overall weighted effect size from 0.29 to 0.62. The study concludes that evidence‐based instructional practices have demonstrated effectiveness even in consideration of potential publication bias, as the range of effect sizes remains positive, but highlights the continued need to publish null findings in the research literature.
A Review of Gopher Tortoise Demography and Movements in Production Pine Forest Landscapes
Authors: Greene Rachel E. , Tuberville Tracey D. , Chamberlain Michael J. , Miller Darren A. , Wigley T. Bently , Martin James A. 
Published: December 2019

ABSTRACTThe gopher tortoise (Gopherus polyphemus; hereafter, tortoise), an ecosystem engineer in open pine (Pinus spp.) woodlands of the southeastern United States, often inhabits production pine forests (PPFs), defined here as even‐aged pine forests managed primarily for timber products, which is a common forest type in the tortoise's range. As a result of frequent disturbance from forest management activities, PPFs are characterized by a shifting mosaic of vegetation conditions over time. However, it is unclear how tortoises respond to these shifting conditions, necessitating an understanding of how forest management activities affect tortoise population dynamics and movements in these landscapes. Therefore, we systematically reviewed literature to assess tortoise responses (e.g., survival, demography, movement) to silvicultural activities in PPF landscapes. Although tortoises are often able to persist in PPF landscapes, their burrows may be concentrated along roadsides, powerline rights‐of‐way, and ecotones between recently harvested and older stands. How, and whether, tortoises can effectively move around PPF landscapes to take advantage of shifting habitat conditions is not well‐understood. We discuss research gaps that must be addressed to enhance conservation efforts on PPF landscapes across ownership types. © 2019 The Wildlife Society.
Binding of HasA by its transmembrane receptor HasR follows a conformational funnel mechanism
Authors: Exner Thomas E. , Becker Stefanie , Becker Simon , Boniface-Guiraud Audrey , Delepelaire Philippe , Diederichs Kay , Welte Wolfram 
Published: December 2019

AbstractHasR in the outer membrane of Serratia marcescens binds secreted, heme-loaded HasA and translocates the heme to the periplasm to satisfy the cell’s demand for iron. The previously published crystal structure of the wild-type complex showed HasA in a very specific binding arrangement with HasR, apt to relax the grasp on the heme and assure its directed transfer to the HasR-binding site. Here, we present a new crystal structure of the heme-loaded HasA arranged with a mutant of HasR, called double mutant (DM) in the following that seemed to mimic a precursor stage of the abovementioned final arrangement before heme transfer. To test this, we performed first molecular dynamics (MD) simulations starting at the crystal structure of the complex of HasA with the DM mutant and then targeted MD simulations of the entire binding process beginning with heme-loaded HasA in solution. When the simulation starts with the former complex, the two proteins in most simulations do not dissociate. When the mutations are reverted to the wild-type sequence, dissociation and development toward the wild-type complex occur in most simulations. This indicates that the mutations create or enhance a local energy minimum. In the targeted MD simulations, the first protein contacts depend upon the chosen starting position of HasA in solution. Subsequently, heme-loaded HasA slides on the external surface of HasR on paths that converge toward the specific arrangement apt for heme transfer. The targeted simulations end when HasR starts to relax the grasp on the heme, the subsequent events being in a time regime inaccessible to the available computing power. Interestingly, none of the ten independent simulation paths visits exactly the arrangement of HasA with HasR seen in the crystal structure of the mutant. Two factors which do not exclude each other could explain these observations: the double mutation creates a non-physiologic potential energy minimum between the two proteins and /or the target potential in the simulation pushes the system along paths deviating from the low-energy paths of the native binding processes. Our results support the former view, but do not exclude the latter possibility.
Identification of physical and psychosocial problems based on symptoms in patients with Behçet’s disease
Authors: Tsutsui Hideyo , Kikuchi Hirotoshi , Oguchi Hiroko , Nomura Kyoko , Ohkubo Takayoshi 
Published: December 2019

AbstractThe purpose of this study was to use the International Classification of Functioning, Disability and Health (ICF) to identify physical and psychosocial problems associated with symptoms of Behçet’s disease (BD) in Japanese patients. Thirty patients with BD were interviewed in a pilot study using the “ICF Checklist”, and a team of medical experts selected categories related to physical and psychosocial aspects of BD. To identify specific physical and psychosocial problems of Japanese patients with BD, 100 new patients were interviewed using the selected categories. Among the 128 categories in the original ICF Checklist, 80 categories were identified as impaired, and another 12 ICF categories were added based on expert discussion of patients input. The number of problem categories was significantly greater in patients with BD with eye involvement and fatigue (eye involvement, 25.7 categories; fatigue, 25.2 categories; bothP < 0.001). Specifically, patients with eye involvement had more difficulties with problems in daily life, such as writing (odds ratio 4.2), understanding such nonverbal messages as gestures and facial expressions (13.7), moving (5.7), walking in intense sunlight and bright light (17.6), and patients with fatigue had more difficulties with climate problems such as symptoms getting worse at the turn of the seasons or on cold days (2.5), compared to those without these symptoms. This study demonstrated that support focusing not only on physical symptoms but on other aspects of life as well is necessary for patients with BD, particularly patients with eye involvement and fatigue.
Bedeutung des Gesundheitsindikators bei der Analyse der Gesundheitsfolgen informeller Pflege
Authors: Kaschowitz Judith , Lazarevic Patrick 
Published: December 2019

Zusammenfassung
Hintergrund
Die Analyse der Gesundheit informell Pflegender wird wichtiger. Frühere Forschung zeigte negative Folgen für ihre psychische Gesundheit. Die Ergebnisse für die körperliche Gesundheit waren weniger eindeutig. Unklar ist, inwieweit dies auf die Verwendung unterschiedlicher Gesundheitsindikatoren zurückgeführt werden kann.

Fragestellung
Welchen Einfluss haben die Wahl des Gesundheitsindikators und die Art der Pflege (innerhalb/außerhalb des Haushalts) auf die ermittelten Gesundheitsfolgen informeller Pflege?

Material und Methode
Mithilfe der Daten des Survey of Health, Ageing and Retirement in Europe (SHARE, Wellen 1, 2, 4–6) wurde der Zusammenhang zwischen informeller Pflege inner- und außerhalb des Haushalts und der Gesundheit der Pflegenden modelliert. Richtung und Stärke dieses Zusammenhangs zwischen 8 Gesundheitsindikatoren wurden sowohl im Quer- als auch im Längsschnitt verglichen.

Ergebnisse
Für die meisten Gesundheitsindikatoren sowohl im Quer- als auch im Längsschnitt konnten negative Gesundheitsfolgen festgestellt werden. Pflegende außerhalb des Haushalts schätzten ihre Gesundheit als besser ein als Nichtpflegende. Im Längsschnitt ließ sich, je nach Gesundheitsindikator, sowohl eine Verbesserung als auch eine Verschlechterung der Gesundheit im Zuge der Pflegeaufnahme attestieren.

Diskussion
Die vorgestellte Arbeit bestätigt Gesundheitsunterschiede zwischen Pflegenden innerhalb und außerhalb des Haushalts. Sie zeigt für Pflegende außerhalb des Haushalts, dass je nach gewähltem Gesundheitsindikator unterschiedliche Auswirkungen von Pflege auf Gesundheit feststellbar sind. Dies verdeutlicht, dass die Wahl des Gesundheitsindikators und der Pflegendenpopulation einen substanziellen Einfluss auf die Analyseergebnisse und die daraus resultierenden Schlussfolgerungen hat.
The motor prodromes of parkinson’s disease: from bedside observation to large-scale application
Authors: Simonet C. , Schrag A. , Lees A. J. , Noyce A. J. 
Published: December 2019

AbstractThere is sufficient evidence that the pathological process that causes Parkinson’s disease begins years before the clinical diagnosis is made. Over the last 15 years, there has been much interest in the existence of a prodrome in some patients, with a particular focus on non-motor symptoms such as reduced sense of smell, REM-sleep disorder, depression, and constipation. Given that the diagnostic criteria for Parkinson’s disease depends on the presence of bradykinesia, it is somewhat surprising that there has been much less research into the possibility of subtle motor dysfunction as a pre-diagnostic pointer. This review will focus on early motor features and provide some advice on how to detect and measure them.
Aptamer-modified gold nanoparticles for rapid aggregation-based detection of inflammation: an optical assay for interleukin-6
Authors: Giorgi-Coll Susan , Marín María J. , Sule Olajumoke , Hutchinson Peter J. , Carpenter Keri L.H. 
Published: December 2019

AbstractA proof-of-concept aptamer-based optical assay is described for the determination of the immuno signalling molecule interleukin-6 (IL-6), a key marker of acute inflammation. The optical assay is based on the aggregation of gold nanoparticles (AuNP) coated in two complimentary “sandwich-style” aptamers, each with different IL-6 target moieties. IL-6 will recognise the complimentary aptamer pair and bind to it, thereby causing the aggregation of the corresponding functionalised nanoparticles. The aggregation of the AuNPs after exposure to IL-6 induces a visible colour change from red to pink, with a corresponding change in the absorption maximum from 520 to 540 nm. The change in the absorption maximum can be monitored visually, or by using a spectrophotometer or a plate reader. The optimal size and functionalisation of aptamer-coated AuNPs, and the potential assay formats were investigated using UV-vis spectrophotometry, transmission electron microscopy, and dynamic light scattering. The optical assay was applied for detecting mouse IL-6 in a mixed protein solution as a representative biological sample. The assay works in the 3.3 to 125 μg·mL−1 IL-6 concentration range, and the detection limit (at S/N = 3) is 1.95 μg·mL−1. This study was performed as a proof-of-concept demonstration of this versatile assay design, with a view to developing a similar assay for use in clinical samples in future.
The influence of irrigation fluid temperature on recurrence in the evacuation of chronic subdural hematoma
Authors: Bartley Andreas , Jakola Asgeir S. , Tisell Magnus 
Published: December 2019

Abstract
Background
Chronic subdural hematomas (cSDH) are one of the most common conditions requiring neurosurgical treatment. The reported recurrence after surgery is 3–21.5% with closed system drainage. In clinical practice, irrigation fluids at body temperature (37 °C) and at room temperature (22 °C) are routinely used in the evacuation of cSDH. Our hypothesis was that irrigation at body temperature might have more beneficial effects on coagulation and solubility of the chronic subdural hematoma than irrigation at room temperature. The aim of this study was to compare the effects of different intraoperative irrigation fluid temperatures on recurrence rates.

Methods
This was a retrospective study where we included all consecutive patients from a defined geographical area of western Sweden between September 2013 and November 2014. In the course of 6 months, we performed intraoperative irrigation at body temperature (37 °C, BT-group) during burr hole evacuation of chronic subdural hematoma. This was then compared with the previous 6-month period, when irrigation fluid at room temperature (22 °C, RT-group) was used. The primary endpoint was same-sided recurrence in need of reoperation within 6 months.

Results
Recurrence occurred in 11 of 84 (13.1%) patients in the RT-group compared with 4 of 88 (4.5%) in the BT-group (p = 0.013). There were no significant between-group differences regarding age, sex, duration of surgery, frequency of bilateral hematomas, hematoma density, and use of anticoagulant/antithrombotic therapy.

Conclusion
Our study demonstrates that intraoperative irrigation fluid at body temperature is associated with lower recurrence rates compared with irrigation fluid at room temperature. To investigate this further, a prospective randomized controlled trial has been initiated (clinicaltrials.gov, NCT0275235).

Trial registration
ClinicalTrials.gov Identifier: NCT0275235
Caregiver burden and health-related quality of life in idiopathic dystonia patients under botulinum toxin treatment: a cross-sectional study
Authors: Drexel S. C. , Klietz M. , Kollewe K. , Paracka L. , Kutschenko A. , Kopp B. , Lange F. , Wegner F. , Dressler D. 
Published: December 2019

AbstractDystonia is a chronic movement disorder that is associated with a reduction in health-related quality of life (HR-QoL) and restriction of activities of daily living. Botulinum neurotoxin (BT) improves disease-specific HR-QoL by reducing abnormal movements, postures, and pain. We examined the burden of the corresponding primary caregiver as a potential important factor for disease management and HR-QoL of dystonia patients under treatment with BT. 114 patients with focal, segmental, or generalized dystonia were recruited, together with 93 corresponding caregivers, whose burden was investigated using the Caregiver Burden Inventory. In addition, all participants were assessed for cognitive impairment, depression, anxiety, alexithymia, and HR-QoL. Only a small proportion of caregivers suffered from caregiver burden. Despite BT therapy, patients’ HR-QoL was decreased compared to the age-matched general German population. Psychological symptoms, notably anxiety, and depression correlated significantly with reduced HR-QoL. Our data imply that caregiver burden emerged to be an issue in subgroups of dystonia patients. Furthermore, HR-QoL of dystonia patients is reduced even under optimized BT treatment in a specialized center.
Evidence for groundwater mixing at Freeling Spring Group, South Australia
Authors: Halihan Todd , Love Andrew , Keppel Mark , Dailey Meghan K. M. , Berens Volmer , Wohling Daniel 
Published: December 2019

AbstractWater sampling at springs that are a part of the Freeling Spring Group, South Australia, was used along with electrical resistivity imaging (ERI) data to evaluate the sources and pathways for groundwater to the springs and to find evidence of mixing between the Great Artesian Basin (GAB) aquifer system (Algebuckina Sandstone, Cadna-owie Formation and lateral equivalents) and waters from the adjacent mountain block basement (MB) aquifer. Five springs and a well were used to evaluate spring chemistry; multi-electrode resistivity data were collected along three orientations over the Freeling Spring site. The resistivity data indicate three independent electrically conductive curvilinear features connected to the spring. These features are evidence of mixing at the spring vent similar to what would be predicted from traditional hydraulic flownets. The chemistry of the spring water samples indicates that the water emanating from the Freeling Spring Group is a mixture of waters from both the GAB and the MB aquifers, supporting the geophysical evidence. The data suggest mixing occurs along a fracture in the body of the MB and porous media flow in the GAB beds, but the system is dominated by the GAB flow, which provides approximately 90% of the discharge.