bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Simple and Low‐Cost Synthesis of Antibacterial Polyurethane with High Mechanical and Antibacterial Properties
Authors: Pei Danfeng , Wang Jiming , Mu Youbing , Wan Xiaobo 
Published: July 2017

AbstractIn this paper, a simple and low‐cost approach for the preparation of quaternary ammonium salt (QAS)‐containing antibacterial polyurethane (APU) films is described. Epichlorohydrin (ECH), an inexpensive and commercially available chemical, is used to prepare the low‐cost antimicrobial PECH‐QAS. Then PECH‐QAS, three‐armed PPG, linear PPG, and diisocyanate are introduced for the synthesis of the APU prepolymer without any solvent in one pot for the first time. Water and three‐armed PPG act as the cross‐linking initiator and cross‐linker in the preparation of the APU films. Using water as the initiator makes the preparation process more environment‐friendly, and the cross‐linked network guarantees the resistance of the film toward solvent corrosion. The influence of molecule weight of PECH‐QAS, PECH‐QAS concentration, cross‐link density, and diisocyanate types on the mechanical properties and antibacterial properties of the APU films is extensively investigated. The optimized APU films exhibit high mechanical performance and excellent antibacterial properties.
Multi‐target Fragments Display Versatile Binding Modes
Authors: Drwal Malgorzata N. , Bret Guillaume , Kellenberger Esther 
Published: July 2017

AbstractPromiscuity is an interesting concept in fragment‐based drug design as fragments with low specificity can be advantageous for finding many screening hits. We present a PDB‐wide analysis of multi‐target fragments and their binding mode conservation. Focussing on multi‐target fragments, we found that the majority shows non‐conserved binding modes, even if they bind in a similar conformation or similar protein targets. Surprisingly, fragment properties alone are not able to predict whether a fragment will exhibit a versatile or conserved binding mode, emphasizing the interplay between protein and fragment features during a binding event and the importance of structure‐based modelling.
Network‐based Approaches in Pharmacology
Authors: Boezio Baptiste , Audouze Karine , Ducrot Pierre , Taboureau Olivier 
Published: July 2017

AbstractIn drug discovery, network‐based approaches are expected to spotlight our understanding of drug action across multiple layers of information. On one hand, network pharmacology considers the drug response in the context of a cellular or phenotypic network. On the other hand, a chemical‐based network is a promising alternative for characterizing the chemical space. Both can provide complementary support for the development of rational drug design and better knowledge of the mechanisms underlying the multiple actions of drugs. Recent progress in both concepts is discussed here. In addition, a network‐based approach using drug‐target‐therapy data is introduced as an example.
Dual function of Lactobacillus kefiri DH5 in preventing high‐fat‐diet‐induced obesity: direct reduction of cholesterol and upregulation of PPAR‐α in adipose tissue
Authors: Kim Dong‐Hyeon , Jeong Dana , Kang Il‐Byeong , Kim Hyunsook , Song Kwang‐Young , Seo Kun‐Ho 
Published: July 2017

ScopeKefir consumption inhibits the development of obesity and non‐alcoholic fatty liver disease (NALFD) in mice fed 60% high‐fat diet (HFD). To identify the key contributor of this effect, we isolated lactic acid bacteria (LAB) from kefir and examined their anti‐obesity properties from in vitro screening and in vivo validation.Methods and resultsThirteen kefir LAB isolates were subjected to survivability test using artificial gastrointestinal environment and cholesterol‐reducing assay. Lactobacillus kefiri DH5 showed 100% survivability in gastrointestinal environments and reduced 51.6% of cholesterol; thus, this strain was selected for in vivo experiment. Compared to the HFD‐saline group, the HFD‐DH5 group showed significantly lower body weight (34.68 versus 31.10 g; p < 0.001), epididymal adipose tissue weight (1.39 versus 1.05 g; p < 0.001), blood triglyceride (38.2 versus 31.0 mg/dL; p < 0.01) and LDL‐cholesterol levels (19.4 versus 15.7 mg/dL; p < 0.01). In addition, L. kefiri DH5 administration significantly modulated gut microbiota of HFD‐fed mice. The hepatic steatosis was significantly milder (Lesion score, 2.1 versus 1.2; p < 0.001) and adipocyte diameter was significantly smaller (65.1 versus 42.2 μm; p < 0.001) in the HFD‐DH5 group. L. kefiri DH5 upregulated PPAR‐α, FABP4, and CPT1 expression in the epididymal adipose tissues (2.29‐, 1.77‐, and 2.05‐fold change, respectively), suggesting a reduction in adiposity by stimulating fatty acid oxidation.ConclusionL. kefiri DH5 exerts anti‐obesity effects by direct reduction of cholesterol in the lumen and upregulation of PPAR‐α gene in adipose tissues.
Portable perfusion phantom for quantitative DCE‐MRI of the abdomen
Authors: Kim Harrison , Mousa Mina , Schexnailder Patrick , Hergenrother Robert , Bolding Mark , Ntsikoussalabongui Bernard , Thomas Vinoy , Morgan Desiree E. 
Published: July 2017

PurposeThe aim of this study was to develop a portable perfusion phantom and validate its utility in quantitative dynamic contrast‐enhanced magnetic resonance imaging of the abdomen.MethodsA portable perfusion phantom yielding a reproducible contrast enhancement curve (CEC) was developed. A phantom package including perfusion and static phantoms were imaged simultaneously with each of three healthy human volunteers in two different 3T MR scanners. Look‐up tables correlating reference (known) contrast concentrations with measured ones were created using either the static or perfusion phantom. Contrast maps of image slices showing four organs (liver, spleen, pancreas, and paravertebral muscle) were generated before and after data correction using the look‐up tables. The contrast concentrations at 4.5 min after dosing in each of the four organs were averaged for each volunteer. The mean contrast concentrations (4 organs × 3 volunteers = 12) were compared for the two scanners, and the intra‐class correlation coefficient (ICC) was calculated. Also, the ICC of the mean Ktrans values between the two scanners was calculated before and after data correction.ResultsThe repeatability coefficient of CECs of perfusion phantom was higher than 0.997 in all measurements. The ICC of the tissue contrast concentrations between the two scanners was 0.693 before correction, but increased to 0.974 after correction using the look‐up tables (LUTs) of perfusion phantom. However, the ICC was not increased after correction using static phantom (ICC: 0.617). Similarly, the ICC of the Ktrans values was 0.899 before correction, but increased to 0.996 after correction using perfusion phantom LUTs. The ICC of the Ktrans values, however, was not increased when static phantom LUTs were used (ICC: 0.866).ConclusionsThe perfusion phantom reduced variability in quantitating contrast concentration and Ktrans values of human abdominal tissues across different MR units, but static phantom did not. The perfusion phantom has the potential to facilitate multi‐institutional clinical trials employing quantitative DCE‐MRI to evaluate various abdominal malignancies.
Previously undiagnosed risk factors and medication nonadherence are prevalent in young adults with first‐ever stroke
Authors: Sung Sheng‐Feng , Lai Edward Chia‐Cheng , Wu Darren Philbert , Hsieh Cheng‐Yang 
Published: July 2017

AbstractPurposeThe incidence of stroke and prevalence of traditional vascular risk factors (VRFs) in young adults (age < 55 y) are both increasing. Young patients tend to be unaware of their VRFs and to have lower medication adherence. We examined how age affects the prevalence of previously undiagnosed VRFs and the extent of medication nonadherence among stroke patients.MethodsUsing Taiwan's National Health Insurance Research Database, we identified consecutive adult patients with first‐ever stroke between 2000 and 2013. Diagnosis of hypertension, diabetes, and hyperlipidemia was ascertained using validated methods. We investigated (1) the proportion of patients who had undiagnosed VRFs within 3 years before stroke and (2) the proportion of nonadherence to medications among patients who had a previously diagnosed VRF.ResultsAmong stroke patients with hypertension (n = 9722), diabetes (n = 4751), and hyperlipidemia (n = 4486), 24.9%, 20.8%, and 55.0%, respectively, had not been diagnosed before stroke, whereas 56.0%, 66.7%, and 32.5%, respectively, had been diagnosed at least 1 year before stroke. The proportions of medication nonadherence were 71.5%, 64.3%, and 88.4% in patients with previously diagnosed hypertension, diabetes, and hyperlipidemia, respectively. In multivariate analysis, younger age was independently associated with undiagnosed hypertension before stroke as well as medication nonadherence in patients with previously diagnosed hypertension or diabetes.ConclusionsPreviously undiagnosed hypertension and nonadherence to treatment of hypertension and diabetes were more prevalent in young adult patients with first‐ever stroke in Taiwan. Interventions targeting young people to promote early detection and adequate control of VRFs should be encouraged.
Modeling of downstream heating in melt electrospinning of polymers
Authors: Mayadeo Nikhil , Morikawa Kai , Naraghi Mohammad , Green Micah J. 
Published: July 2017

ABSTRACTIn this study, both modeling and experimental approaches are used to demonstrate that downstream volumetric heating of electrospun fibers during melt electrospinning can result in markedly decreased fiber diameters. Previous melt electrospinning techniques were limited to production of micron‐sized fibers. This is because high viscosity and low electrical conductivity of the polymer melt coupled with rapid heat loss to the surroundings resulted in solidification of the jet before it had been significantly stretched by the electric field. In our study, we utilize a model for non‐isothermal melt electrospinning in the presence of a volumetric heat source. Our simulation results demonstrate that downstream heating does reduce the fiber diameter, and is therefore a feasible approach for resolving the limitations of melt electrospinning. In addition, our model has also been used to capture the effect of the surrounding temperature, which affects the thinning of the fiber through surface rather than volumetric interactions. Finally, melt electrospinning experiments are utilized to validate the model predictions for downstream heating. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017, 55, 1393–1405
Limitations in the inverse association between psychological resilience and depression in prostate cancer patients experiencing chronic physiological stress
Authors: Sharpley Christopher F. , Christie David R.H. , Bitsika Vicki , Agnew Linda L. , Andronicos Nicholas M. , McMillan Mary E. , Richards Timothy M. 
Published: July 2017

AbstractObjectiveTo investigate the effect of chronic stress as measured in cortisol concentrations upon the association between psychological resilience (PR) and depression in prostate cancer (PCa) patients.MethodsA total of 104 men with PCa completed inventories on PR, depression, and background factors, plus gave a sample of their saliva for cortisol assay.ResultsThe inverse correlation between PR and depression was present only for PCa patients with low or moderate concentrations of salivary cortisol (when classified as more than 1.0 SD below the mean vs within 1.0 SD of the group mean) but not for those men whose cortisol was >1.0 SD from the group mean. Specific PR factors and behaviours that made the greatest contribution to depression were identified for the low and moderate cortisol groups.ConclusionsThese results suggest that there are particular aspects of PR that are most strongly related to depression, but that PR's inverse association with depression may be absent in participants with extreme chronic physiological stress.
A theoretical study for the regioselective Diels–Alder reaction of 5,6‐fulleroid with strained anti‐Bredt olefins
Authors: Ikuma Naohiko 
Published: July 2017

AbstractRegioselectivity of Diels–Alder reaction of the anti‐Bredt olefin of fulleroid, the 5,6‐methylene‐bridged fullerene derivative, is theoretically clarified by DFT calculations. In transition state calculations, the addition of a noncyclic diene 2,3‐dimethyl‐1,3‐butadiene (DMBD) at the anti‐Bredt olefin has considerably lower activation energy than those at the other sixteen olefins, while the reaction of a rigid cyclic diene cyclohexadiene (CHD) has similar activation energy at both anti‐Bredt and another nontwisted olefin. The changes in strain and interaction of the reactants are estimated along its reaction coordinate by activation strain model. Noncyclic diene shows asynchronous CC bond formation with a significant gain of interaction energy, while the rigid cyclic diene shows a large growth of strain energy canceling out the interaction energy between diene and fulleroid.
The effect of metacognitive training and prompting on learning success in simulation‐based physics learning
Authors: Moser Stephanie , Zumbach Joerg , Deibl Ines 
Published: July 2017

AbstractComputer‐based simulations are of particular interest to physics learning because they allow learners to actively manipulate graphical visualizations of complex phenomena. However, learning with simulations requires supportive elements to scaffold learners’ activities. Thus, our motivation was to investigate whether direct or indirect metacognitive scaffolding (i.e., training and prompting, respectively) or a combination of both during simulation‐based learning leads to better learning outcomes compared to simulation‐based learning alone. Employing a 2 × 2 factorial design (N = 99 Austrian secondary school students), we explored the role of metacognitive training prior to the use of simulations and the role of metacognitive prompting during the learning phase. Four different conditions were compared in relation to knowledge about the principle of energy conservation. A pre‐ and posttest assessing knowledge acquisition, metacognitive behavior, cognitive load, and mental effort was applied. At first glance, the results indicate no main effects for training and prompting, and no interaction effect. A closer look at the actual use of prompting after the empirical data were obtained, however, reveals a significant impact of the metacognitive strategies employed on performance in the posttest, with higher scores in the condition where appropriate prompting was used. This result emphasizes the importance of guidance during simulation‐based learning.
Late Triassic (Julian) conodont biostratigraphy of a transition from reefal limestones to deep‐water environments on the Cimmerian terranes (Taurus Mountains, southern Turkey)
Authors: Chen Yanlong , Lukeneder Alexander 
Published: July 2017

AbstractSections at Aşağiyaylabel and Yukariyaylabel, Taurus Mountains, southern Turkey, provide a rare opportunity to investigate conodont faunas in detail across a reef to slope transition. Intensive sampling of limestone beds (wackestones to packstones) through approximately 3 m at these locations has led to the recognition of a new lower Carnian (Julian 1/2) conodont fauna within the Kartoz and Kasimlar formations. Members of the subfamilies Paragondolellinae and Pseudofurnishiinae are recognized. The genus Kraussodontus is reported for the first time from the Taurus Mountains. Mosherella postkockeli and Mosherella praebudaensis sp. nov. occur within the lower Carnian Carbonate Member of the Kasimlar Formation from the Taurus Platform Units. The discovery of the new conodont assemblages from Aşağiyaylabel and Yukariyaylabel facilitates a correlation with faunal assemblages worldwide.
Federalism and the Challenge of Applying International Human Rights Law Against Child Marriage in Africa
Authors: Ebobrah Solomon , Eboibi Felix 
Published: July 2017

AbstractFederalism presents a dilemma for the implementation of international human rights law in those African states that operate federal constitutions. Central governments in these states enjoy international legal personality, make treaties and represent their states as parties to those treaties, yet internal legislative competence over some issues regulated by treaty is commonly shared between central and regional governments. Consequently, while central governments bear responsibility for transforming international standards into national law, challenges arise in areas such as the protection of children from child marriage, where they lack exclusive national legislative competence. How have these states managed to implement international law without violating their own constitutions? Applying a comparative approach, this article argues that African federal states have employed two main models to overcome the dilemma, neither of which has been totally effective. Drawing lessons from federal states outside Africa, the article suggests other mechanisms to perfect Africa's two main models.
Influence of sea level rise on discounting, resource use and migration in small-island communities: an agent-based modelling approach
Authors: HENRY ADAM DOUGLAS , CHRISTENSEN ANDREAS EGELUND , HOFMANN REBECCA , STEIMANIS IVO , VOLLAN BJÖRN 
Published: July 2017

SUMMARYTime discounting – the degree to which individuals value current more than future resources – is an important component of natural resource conservation. As a response to climate change impacts in island communities, such as sea level rise, discounting the future can be a rational response due to increased stress on natural resources and uncertainty about whether future generations will have the same access to the same resources. By incorporating systematic responses of discount rates into models of resource conservation, realistic expectations of future human responses to climate change and associated resource stress may be developed. This paper illustrates the importance of time discounting through a theoretical agent-based model of resource use in island communities. A discount rate change can dramatically change projections about future migration and community-based conservation efforts. Our simulation results show that an increase in discount rates due to a credible information shock about future climate change impacts is likely to speed resource depletion. The negative impacts of climate change are therefore likely to be underestimated if changes in discount rates and emerging migration patterns are not taken into account.
Framing and the annuitization decision – Experimental evidence from a Dutch pension fund
Authors: BOCKWEG CHRISTIAN , PONDS EDUARD , STEENBEEK ONNO , VONKEN JOYCE 
Published: July 2017

AbstractWe report the effects of framing settings in annuity demand after conducting a survey-based experiment with members of a Dutch occupational pension plan. We gave participants the option to allocate up to 20% of their projected pension accrual to a lump sum. In particular, we investigated the joint effects of consumption and investment frames and gain and loss frames. We present strong evidence for framing effects in annuity demand. Framing effects remain significant when we control for individual characteristics. We also find robust evidence of individual characteristics influencing annuity demand, highlighting the importance of heterogeneity among participants, for example risk aversion, time preference and trust in the pension fund. Gender and long-term debt positions have significant impact how one responds to framing. We conclude that Dutch plan members generally welcome the partial lump sum option over mandatory full annuitization. The application of frames appears to predictively steer annuity demand. The precise effect framing may have, would probably also depend on the institutional environment, which predefines the perspective through which individuals filter annuities.
Ancient hydrothermal seafloor deposits in Eridania basin on Mars
Authors: Michalski Joseph R. , Dobrea Eldar Z. Noe , Niles Paul B. , Cuadros Javier 
Published: July 2017

AbstractThe Eridania region in the southern highlands of Mars once contained a vast inland sea with a volume of water greater than that of all other Martian lakes combined. Here we show that the most ancient materials within Eridania are thick (>400 m), massive (not bedded), mottled deposits containing saponite, talc-saponite, Fe-rich mica (for example, glauconite-nontronite), Fe- and Mg-serpentine, Mg-Fe-Ca-carbonate and probable Fe-sulphide that likely formed in a deep water (500–1,500 m) hydrothermal setting. The Eridania basin occurs within some of the most ancient terrain on Mars where striking evidence for remnant magnetism might suggest an early phase of crustal spreading. The relatively well-preserved seafloor hydrothermal deposits in Eridania are contemporaneous with the earliest evidence for life on Earth in potentially similar environments 3.8 billion years ago, and might provide an invaluable window into the environmental conditions of early Earth.
Instructing cells with programmable peptide DNA hybrids
Authors: Freeman Ronit , Stephanopoulos Nicholas , Álvarez Zaida , Lewis Jacob A , Sur Shantanu , Serrano Chris M , Boekhoven Job , Lee Sungsoo S. , Stupp Samuel I. 
Published: July 2017

AbstractThe native extracellular matrix is a space in which signals can be displayed dynamically and reversibly, positioned with nanoscale precision, and combined synergistically to control cell function. Here we describe a molecular system that can be programmed to control these three characteristics. In this approach we immobilize peptide-DNA (P-DNA) molecules on a surface through complementary DNA tethers directing cells to adhere and spread reversibly over multiple cycles. The DNA can also serve as a molecular ruler to control the distance-dependent synergy between two peptides. Finally, we use two orthogonal DNA handles to regulate two different bioactive signals, with the ability to independently up- or downregulate each over time. This enabled us to discover that neural stem cells, derived from the murine spinal cord and organized as neurospheres, can be triggered to migrate out in response to an exogenous signal but then regroup into a neurosphere as the signal is removed.
Controlled spatial separation of spins and coherent dynamics in spin-orbit-coupled nanostructures
Authors: Lo Shun-Tsung , Chen Chin-Hung , Fan Ju-Chun , Smith L. W. , Creeth G. L. , Chang Che-Wei , Pepper M. , Griffiths J. P. , Farrer I. , Beere H. E. , Jones G. A. C. , Ritchie D. A. , Chen Tse-Ming 
Published: July 2017

AbstractThe spatial separation of electron spins followed by the control of their individual spin dynamics has recently emerged as an essential ingredient in many proposals for spin-based technologies because it would enable both of the two spin species to be simultaneously utilized, distinct from most of the current spintronic studies and technologies wherein only one spin species could be handled at a time. Here we demonstrate that the spatial spin splitting of a coherent beam of electrons can be achieved and controlled using the interplay between an external magnetic field and Rashba spin–orbit interaction in semiconductor nanostructures. The technique of transverse magnetic focusing is used to detect this spin separation. More notably, our ability to engineer the spin–orbit interactions enables us to simultaneously manipulate and probe the coherent spin dynamics of both spin species and hence their correlation, which could open a route towards spintronics and spin-based quantum information processing.