bluuebunny/crossref_metadata_2025_split huggingface dataset:
Screening of analgesic and anti‐inflammatory active component in Fructus Alpiniae zerumbet based on spectrum–effect relationship and GC–MS
Authors: Xiao Rui‐Yao , Wu Ling‐Jing , Hong Xiao‐Xiao , Tao Ling , Luo Peng , Shen Xiang‐Chun 
Published: October 2017

AbastractFructus Alpiniae zerumbet is widely used in Guizhou province as a miao folk herb with anti‐inflammatory, analgesic, protection against cardiovascular diseases, antihypertension and antioxidant activities. To further investigate the chemical material basis, the spectrum–effect relationship was established using gray relational analysis between the chromatographic fingerprint and its bioactivities. Herein, the fingerprints of essential oils from Fructus Alpiniae zerumbet (EOFAZ) from various sources were determined by gas chromatography mass spectrometry, and the analgesic and anti‐inflammatory bioactivities were investigated using the mouse model of acetic acid‐induced writhing test and dimethylbenzene‐induced mouse ear edema test. Finally, 17 common peaks were identified from nine batches of A. zerumbet, by comparison with the standard mass spectra in Nist2005, Wiley275 library. Meanwhile, the results showed significant analgesic and anti‐inflammatory effects in all of the different sources of EOFAZ. In particularly, peak 1 (α‐pipene), peak 3 (β‐pinene), peak 9 (camphor) and peak 16 (α‐cadinol) might be the main bioactive ingredients for analgesic and anti‐inflammatory activities. The model of the spectrum–effect relationships of EOFAZ was successfully discovered, which provided a novel platform for finding the bioactive components, a theoretical foundation for its further study and helping to establish quality control of Fructus A. zerumbet.
Cardiogenic shock: current epidemiology and management
Authors: Kataja A. , Harjola V.‐P. 
Published: October 2017

AbstractCardiogenic shock (CS) is the most severe form of acute heart failure, characterized by low cardiac output, hypotension, and systemic hypoperfusion. CS is the leading cause of death in acute coronary syndrome (ACS) that accounts for about 80% of CS cases. In addition to acute cardiac cause, the diagnostic criteria for CS include persistent hypotension (systolic blood pressure < 90 mmHg) and clinical signs of hypoperfusion. Mortality rates in CS remain as high as 35–50%. Severe left ventricular dysfunction usually triggers the shock and leads to the activation of systemic inflammatory response and hypothalamic‐pituitary‐adrenal axis. Immediately after detection of the shock, electrocardiography and echocardiography should be performed to determine the etiology of CS and to rule out mechanical complications. Urgent revascularization by percutaneous coronary intervention, or less often by coronary artery bypass graft, is the most important treatment in CS caused by ACS. In the case of mechanical complication, immediate surgical treatment is essential. Regardless of the etiology, the basic treatment strategy includes fluid challenge that aims at obtaining euvolemia and relieving tissue hypoperfusion. Inotropes and vasopressors are often needed to improve cardiac performance and to maintain sufficient blood pressure. Ventilation is often supported mechanically and CS patients are best treated in intensive cardiac care unit. Continuous invasive blood pressure monitoring, electrocardiography, and repeated echocardiography are required. In CS refractory to other treatments, mechanical circulatory support may be considered to maintain adequate perfusion pressure and to prevent multiorgan failure.Answer questions and earn CME: https://wileyhealthlearning.com/Activity2/5608947/Activity.aspx
In Situ Surface Coating of Squaric Acid with Conductive Polyaniline for a High‐Capacity and Sustainable Lithium Battery Anode
Authors: Ghosh Arnab , Mitra Sagar 
Published: October 2017

AbstractSquaric acid (SA) has been investigated as a readily available organic anode material in rechargeable lithium batteries. To overcome both conductivity and dissolution problems related to organic compounds, SA was conformally coated with conductive polyaniline through a facile in situ chemical polymerization route. Polyaniline‐coated SA exhibits a stable high capacity of 394 mA h g−1 after 100 cycles at 100 mA g−1 in lithium batteries. At 1 A g−1 current density, polyaniline‐coated SA (PANI‐SA) shows long cycle life over 1000 cycles with 96.9 % retention of initial reversible capacity. The reversible Li+ storage property of SA is revealed through ex situ NMR characterization.
Shape‐Controlled Synthesis of Au–Polypyrrole Composites Using Poly(4‐vinylpyridine) Brush Grafted on Graphene Oxide as a Reaction Chamber
Authors: Xing Guoke , Wang Wenqin , Wang Ke , Li Ping , Chen Tao 
Published: October 2017

AbstractControlling the shape of the conducting polymer‐noble metal composites is a key factor in determining their properties and applications. In this paper, we demonstrate a novel strategy to fabricate Au–polypyrrole (PPy) composites with unusual morphology using poly(4‐vinylpyridine) (P4VP) brush grafted on graphene oxide (GO) as a reaction chamber. When the GO/P4VP brush bearing AuCl4− ions is exposed to pyrrole vapor or directly immersed into pyrrole solution, novel Au−PPy nanotubules and flower‐like Au mesoparticles–PPy composites are formed on the surface of GO/P4VP brush, respectively. The application of the as‐prepared GO/P4VP/Au−PPy composites in catalysis and surface‐enhanced Raman scattering (SERS) are investigated. The relevant results exhibit that the GO/P4VP/Au−PPy nanotubules can act as an efficient catalyst for reduction of 4‐nitrophenol, and the GO/P4VP/flower‐like Au mesoparticles–PPy composites can be used as a sensor platform for the detection of organic molecules by SERS.
An Enzymatic Route to α‐Tocopherol Synthons: Aromatic Hydroxylation of Pseudocumene and Mesitylene with P450 BM3
Authors: Dennig Alexander , Weingartner Alexandra Maria , Kardashliev Tsvetan , Müller Christina Andrea , Tassano Erika , Schürmann Martin , Ruff Anna Joëlle , Schwaneberg Ulrich 
Published: October 2017

AbstractAromatic hydroxylation of pseudocumene (1 a) and mesitylene (1 b) with P450 BM3 yields key phenolic building blocks for α‐tocopherol synthesis. The P450 BM3 wild‐type (WT) catalyzed selective aromatic hydroxylation of1 b(94 %), whereas1 awas hydroxylated to a large extent on benzylic positions (46–64 %). Site‐saturation mutagenesis generated a new P450 BM3 mutant, herein named “variant M3” (R47S, Y51W, A330F, I401M), with significantly increased coupling efficiency (3‐ to 8‐fold) and activity (75‐ to 230‐fold) for the conversion of1 aand1 b. Additional π–π interactions introduced by mutation A330F improved not only productivity and coupling efficiency, but also selectivity toward aromatic hydroxylation of1 a(61 to 75 %). Under continuous nicotinamide adenine dinucleotide phosphate recycling, the novel P450 BM3 variant M3 was able to produce the key tocopherol precursor trimethylhydroquinone (3 a; 35 % selectivity; 0.18 mg mL−1) directly from1 a. In the case of1 b, overoxidation leads to dearomatization and the formation of a valuablep‐quinol synthon that can directly serve as an educt for the synthesis of3 a. Detailed product pattern analysis, substrate docking, and mechanistic considerations support the hypothesis that1 abinds in an inverted orientation in the active site of P450 BM3 WT, relative to P450 BM3 variant M3, to allow this change in chemoselectivity. This study provides an enzymatic route to key phenolic synthons for α‐tocopherols and the first catalytic and mechanistic insights into direct aromatic hydroxylation and dearomatization of trimethylbenzenes with O2.
Cake Filtration of Multiphase Solid‐Liquid‐Liquid
Authors: Kühne Sophie , Peuker Urs 
Published: October 2017

AbstractZur Bestimmung der Trenneigenschaften von Fest/Flüssig/Flüssig‐Suspensionen (Mehrkomponentensuspensionen oder Suspoemulsionen) durch kuchenbildende Filtration wurden Experimente mit Suspoemulsionen aus Öltropfen und Feststoffpartikeln in Wasser durchgeführt. Bis zu einem bestimmten Volumenanteil werden die Öltropfen vollständig im Filterkuchen zurückgehalten und dadurch vergleichsweise geringe Porositäten erreicht. Der Zusammenhang zwischen Durchströmungswiderstand und Porosität entspricht theoretisch/empirischen Zusammenhängen, deren Gültigkeit hierdurch auf geringere Porositäten erweitert werden konnte.
Multi‐criteria Optimization of an Industrial World‐Scale Process
Authors: von Kurnatowski Martin , Bortz Michael , Scherrer Alexander , Hoffmann Anna , Lorenz Hilke‐Marie , Caraucan Miguel , Grützner Thomas , Künzle Niklaus , Küfer Karl‐Heinz 
Published: October 2017

AbstractCommercially available flow sheet simulators cannot perform optimization runs with more than one criterion. To overcome this problem, the flow sheet simulator CHEMCAD is combined with an external optimization solver, and the Excel VBA client is used to arrange inter‐process communications. The resulting tool for multi‐criteria optimization in chemical process engineering is applied to two separation problems. First, a dividing‐wall column is used as a theoretical example to test different starting points and different scalarization techniques. Second, a significant decrease in energy demand is achieved for a real continuous world‐scale facility.
Minor Structural Variations of Small Molecules Tune Regulatory Activities toward Pathological Factors in Alzheimer's Disease
Authors: Beck Michael W. , Derrick Jeffrey S. , Suh Jong‐Min , Kim Mingeun , Korshavn Kyle J. , Kerr Richard A. , Cho Woo Jong , Larsen Scott D. , Ruotolo Brandon T. , Ramamoorthy Ayyalusamy , Lim Mi Hee 
Published: October 2017

AbstractChemical tools have been valuable for establishing a better understanding of the relationships between metal ion dyshomeostasis, the abnormal aggregation and accumulation of amyloid‐β (Aβ), and oxidative stress in Alzheimer's disease (AD). Still, very little information is available to correlate the structures of chemical tools with specific reactivities used to uncover such relationships. Recently, slight structural variations to the framework of a chemical tool were found to drastically determine the tool's reactivities toward multiple pathological facets to various extents. Herein, we report our rational design and characterization of a structural series to illustrate the extent to which the reactivities of small molecules vary toward different targets as a result of minor structural modifications. These compounds were rationally and systematically modified based on consideration of properties, including ionization potentials and metal binding, to afford their desired reactivities with metal‐free or metal‐bound Aβ, reactive oxygen species (ROS), and free organic radicals. Our results show that although small molecules are structurally similar, they can interact with multiple factors associated with AD pathogenesis and alleviate their reactivities to different degrees. Together, our studies demonstrate the rational structure‐directed design that can be used to develop chemical tools capable of regulating individual or interrelated pathological features in AD.
A wide‐line low frequency electron paramagnetic resonance spectrometer
Authors: Switala Lauren E. , Ryan William J. , Hoffman Merlin , Javier Stephany , Black Baron E. , Hornak Joseph P. 
Published: October 2017

AbstractA continuous wave, homodyne, low frequency electron paramagnetic resonance spectrometer is described which can accommodate 15 cm diameter objects. The spectrometer can utilize small volume and surface coil probes operating between 100 and 500 MHz. The magnetic field can be scanned between 0 and 35 mT and is thus suitable for g < 2 spins and wide absorption lines. The spectrometer can record conventional field swept, field cycled, and spatially resolved spectra. Details of the instrument design and representative spectra from six different samples are presented. This design has applications to study objects with cultural heritage significance.
AAA ‐ autonomous anonymous user authentication and its application in V2G
Authors: Braeken A. , Touhafi Abdellah 
Published: October 2017

SummaryCloud computing offers a simple way to provide access to servers, storage, databases, and a broad set of application services over the Internet. Its popularity is growing spectacularly. Consequently, there is a need for strong authentication schemes, offering besides data privacy also identity privacy during these actions. Therefore, this paper presents 2 user‐friendly protocols, called the autonomous, anonymous, and authentication—AAA1 and AAA2—schemes, able to derive the required security material at user's side without the need of a secure channel between user and registration center. The protocol AAA2 has the added functionality to guarantee unforgeability and non‐repudiation of the request. Only simple elliptic curve operations, together with hashes and symmetric key encryptions are used. The proposed protocols are 2‐factor based, requiring the knowledge of the password and the possession of a correctly installed smartphone, and are very efficient to be executed on the smartphone because of a small amount of computations. As an application, we show how AAA1 can be utilized in a communication protocol for monitoring and AAA2 for charging and discharging of electrical vehicles with the smart grid. Moreover, these proposed solutions allow a much better performance, compared with the state of the art protocols in this field.
A quasi‐cache‐aware model for optimal domain partitioning in parallel geometric multigrid
Authors: Saxena Gaurav , Jimack Peter K. , Walkley Mark A. 
Published: October 2017

SummaryStencil computations form the heart of numerical simulations to solve Partial Differential Equations using Finite Difference, Finite Element, and Finite Volume methods. Geometric Multigrid is an optimal
, hierarchical tool employing stencil computations in its chief constituents, namely, smoothing, restriction, and interpolation. When Multigrid is parallelized over distributed‐shared memory architectures, traditionally, the domain partitioning creates cubic partitions of the mesh to minimize overall communication. Thus, the orthodox approach considers only load‐balancing and communication minimization for completely determining the domain partitioning. In this article, we show that these two factors are not sufficient to obtain optimal partitions for Parallel Geometric Multigrid. To this effect, we develop and validate a high level analytical model to show that “close to 2‐D” partitions for Geometric Multigrid can give higher performance than the partitions returned by the MPI_Dims_create() function which minimizes the communication volume by default. We quantify sub‐domain level cache‐misses in Parallel Geometric Multigrid and obtain families of optimal domain partitions. We conclude that the sub‐domain level cache‐misses for the application‐specific stencil computational kernel and communicated planes should be taken into account in addition to communication minimization/load‐balance to obtain optimal partitions for Parallel Geometric Multigrid.
An evaluation of the state of time synchronization on leadership class supercomputers
Authors: Jones Terry , Ostrouchov George , Koenig Gregory A. , Mondragon Oscar H. , Bridges Patrick G. 
Published: October 2017

SummaryWe present a detailed examination of time agreement characteristics for nodes within extreme‐scale parallel computers. Using a software tool we introduce in this paper, we quantify attributes of clock skew among nodes in three representative high‐performance computers sited at three national laboratories. Our measurements detail the statistical properties of time agreement among nodes and how time agreement drifts over typical application execution durations. We discuss the implications of our measurements, why the current state of the field is inadequate, and propose strategies to address observed shortcomings.
Evolutionary structure of Plasmodium falciparum major variant surface antigen genes in South America: Implications for epidemic transmission and surveillance
Authors: Rougeron Virginie , Tiedje Kathryn E. , Chen Donald S. , Rask Thomas S. , Gamboa Dionicia , Maestre Amanda , Musset Lise , Legrand Eric , Noya Oscar , Yalcindag Erhan , Renaud François , Prugnolle Franck , Day Karen P. 
Published: October 2017

AbstractStrong founder effects resulting from human migration out of Africa have led to geographic variation in single nucleotide polymorphisms (SNPs) and microsatellites (MS) of the malaria parasite, Plasmodium falciparum. This is particularly striking in South America where two major founder populations of P. falciparum have been identified that are presumed to have arisen from the transatlantic slave trade. Given the importance of the major variant surface antigen of the blood stages of P. falciparum as both a virulence factor and target of immunity, we decided to investigate the population genetics of the genes encoding “Plasmodium falciparum Erythrocyte Membrane Protein 1” (PfEMP1) among several countries in South America, in order to evaluate the transmission patterns of malaria in this continent. Deep sequencing of the DBLα domain of var genes from 128 P. falciparum isolates from five locations in South America was completed using a 454 high throughput sequencing protocol. Striking geographic variation in var DBLα sequences, similar to that seen for SNPs and MS markers, was observed. Colombia and French Guiana had distinct var DBLα sequences, whereas Peru and Venezuela showed an admixture. The importance of such geographic variation to herd immunity and malaria vaccination is discussed.
Impacts of environmental factors on the climbing behaviors of herbaceous stem‐twiners
Authors: Hu Liang , Chen Youfang , Liu Meicun 
Published: October 2017

AbstractThe curvature of the helical trajectory formed by herbaceous stem‐twiners has been hypothesized to be constant on uniformly sized cylindrical supports and remains constant on different supports varying in diameter. However, experimental studies on the constant curvature hypothesis have been very limited. Here, we tested the hypothesis in a series of experiments on five herbaceous stem‐twiners (Ipomoea triloba, Ipomoea nil, Phaseolus vulgaris, Vigna unguiculata, and Mikania micrantha). We investigated how internode characteristics (curvature [β], diameter [d], and length [L]) and success rate (SR) of twining shoots would be affected by support thickness (D), temperature (T), illumination, and support inclination. The results showed that: (1) the SR of tested species decreased, but d increased with increasing support thickness. The β of the twining shoots on erect cylindrical poles was not constant, but it decreased with increasing d or support thickness. (2) The SR of tested species was not obviously reduced under low‐temperature conditions, but their β was significantly higher and d significantly lower when temperature was more than 5°C lower. (3) The SR, d, and L of two tested Ipomoea species significantly declined, but β increased under 50% shading stress. (4) The curvatures of upper semicycles of I. triloba shoots on 45° inclined supports were not significantly different from curvatures of those shoots climb on erect supports, whereas the curvatures of lower semicycles were 40%–72% higher than curvatures of upper semicycles. Synthesis: Our study illustrates that stem curvatures of a certain herbaceous stem‐twiners are not constant, but rather vary in response to external support, temperature, and illumination conditions. We speculate that herbaceous stem‐twiners positively adapt to wide‐diameter supports by thickening their stems and by reducing their twining curvatures. This insight helps us better understand climbing processes and dynamics of stem‐twiners in forest communities and ecosystems.
Fast, slow, and adaptive management of habitat modification–invasion interactions: woodland caribou (Rangifer tarandus)
Authors: Wilman Elizabeth A. , Wilman Elspeth N. 
Published: October 2017

AbstractWoodland caribou (Rangifer tarandus) are declining throughout much of their North American range. In Alberta, industrial development is the major driver for the disturbance to caribou habitat and ecosystem dynamics involving the invasion of other ungulates and predators. Non‐linear predation increases the chances of extirpation. Reversing the decline of an individual herd requires some combination of habitat protection, slow habitat restoration, and control of the faster‐to‐adjust invading ungulates and/or predators. To explain the ecosystem dynamics affecting the decline, and its potential reversal, we develop a mathematical ecological model that incorporates the interactive effects within and between trophic levels, between slow and fast ecosystem variables, and includes non‐linearity. The most effective mix of fast variable controls depends on the relationships among caribou, predators, and their primary prey. Uncertainties create challenges. Even if fast variable controls improve caribou numbers, habitat restoration is necessary to permanently reverse the decline of an individual herd. However, the outcomes of habitat restoration actions are highly uncertain. Uncertainty is addressed at the provincial scale by combining the model with active adaptive management, and the closely related real options approach, which both guarantees against the worst outcome of provincial extirpation and allows further development if restoration activities are successful.
Long‐term safety of intravenous cardiovascular agents in acute heart failure: results from the European Society of Cardiology Heart Failure Long‐Term Registry
Authors: Mebazaa Alexandre , Motiejunaite Justina , Gayat Etienne , Crespo‐Leiro Maria G. , Lund Lars H. , Maggioni Aldo P. , Chioncel Ovidiu , Akiyama Eiichi , Harjola Veli‐Pekka , Seferovic Petar , Laroche Cecile , Julve Marisa Sanz , Roig Eulalia , Ruschitzka Frank , Filippatos Gerasimos ,   on behalf of the ESC Heart Failure Long‐Term Registry Investigators
Published: October 2017

AimsThe aim of this study was to assess long‐term safety of intravenous cardiovascular agents—vasodilators, inotropes and/or vasopressors—in acute heart failure (AHF).Methods and resultsThe European Society of Cardiology Heart Failure Long‐Term (ESC‐HF‐LT) registry was a prospective, observational registry conducted in 21 countries. Patients with unscheduled hospitalizations for AHF (n = 6926) were included: 1304 (18.8%) patients received a combination of intravenous (i.v.) vasodilators and diuretics, 833 (12%) patients received i.v. inotropes and/or vasopressors. Primary endpoint was long‐term all‐cause mortality. Main secondary endpoints were in‐hospital and post‐discharge mortality. Adjusted hazard ratio (HR) showed no association between the use of i.v. vasodilator and diuretic and long‐term mortality [HR 0.784, 95% confidence interval (CI) 0.596–1.032] nor in‐hospital mortality (HR 1.049, 95% CI 0.592–1.857) in the matched cohort (n = 976 paired patients). By contrast, adjusted HR demonstrated a detrimental association between the use of i.v. inotrope and/or vasopressor and long‐term all‐cause mortality (HR 1.434, 95% CI 1.128–1.823), as well as in‐hospital mortality (HR 1.873, 95% CI 1.151–3.048) in the matched cohort (n = 606 paired patients). No association was found between the use of i.v. inotropes and/or vasopressors and long‐term mortality in patients discharged alive (HR 1.078, 95% CI 0.769–1.512). A detrimental association with inotropes and/or vasopressors was seen in all geographic regions and,
among catecholamines, dopamine was associated with the highest risk of death (HR 1.628, 95% CI 1.031–2.572 vs. no inotropes).ConclusionsVasodilators did not demonstrate any association with long‐term clinical outcomes, while inotropes and/or vasopressors were associated with increased risk of all‐cause death, mostly related to excess of in‐hospital mortality in AHF.