bluuebunny/crossref_metadata_2025_split huggingface dataset:
Oral Anticoagulation and Functional Outcome after Intracerebral Hemorrhage
Authors: Biffi Alessandro , Kuramatsu Joji B. , Leasure Audrey , Kamel Hooman , Kourkoulis Christina , Schwab Kristin , Ayres Alison M. , Elm Jordan , Gurol M. Edip , Greenberg Steven M. , Viswanathan Anand , Anderson Christopher D. , Schwab Stefan , Rosand Jonathan , Testai Fernando D. , Woo Daniel , Huttner Hagen B. , Sheth Kevin N 
Published: October 2017

ObjectiveOral anticoagulation treatment (OAT) resumption is a therapeutic dilemma in intracerebral hemorrhage (ICH) care, particularly for lobar hemorrhages related to amyloid angiopathy. We sought to determine whether OAT resumption after ICH is associated with long‐term outcome, accounting for ICH location (ie, lobar vs nonlobar).MethodsWe meta‐analyzed individual patient data from: (1) the multicenter RETRACE study (n = 542), (2) a U.S.‐based single‐center ICH study (n = 261), and (3) the Ethnic/Racial Variations of Intracerebral Hemorrhage study (n = 209). We determined whether, within 1 year from ICH, OAT resumption was associated with: (1) mortality, (2) favorable functional outcome (modified Rankin Scale = 0–3), and (3) stroke incidence. We separately analyzed nonlobar and lobar ICH cases using propensity score matching and Cox regression models.ResultsWe included 1,012 OAT‐related ICH survivors (633 nonlobar and 379 lobar). Among nonlobar ICH survivors, 178/633 (28%) resumed OAT, whereas 86/379 (23%) lobar ICH survivors did. In multivariate analyses, OAT resumption after nonlobar ICH was associated with decreased mortality (hazard ratio [HR] = 0.25, 95% confidence interval [CI] = 0.14–0.44, p < 0.0001) and improved functional outcome (HR = 4.22, 95% CI = 2.57–6.94, p < 0.0001). OAT resumption after lobar ICH was also associated with decreased mortality (HR = 0.29, 95% CI = 0.17–0.45, p < 0.0001) and favorable functional outcome (HR = 4.08, 95% CI = 2.48–6.72, p < 0.0001). Furthermore, OAT resumption was associated with decreased all‐cause stroke incidence in both lobar and nonlobar ICH (both p < 0.01).InterpretationThese results suggest novel evidence of an association between OAT resumption and outcome following ICH, regardless of hematoma location. These findings support conducting randomized trials to explore risks and benefits of OAT resumption after ICH. Ann Neurol 2017;82:755–765
Raman Spectroscopy of Lithographically Defined Graphene Nanoribbons ‐ Influence of Size and Defects
Authors: Kampmann Felix , Scheuschner Nils , Terrés Bernat , Jörger Danny , Stampfer Christoph , Maultzsch Janina 
Published: October 2017

AbstractGraphene nanostructures are an important building block to make use of the properties of graphene for applications in integrated devices. It is important to study edge roughness and defects in such nanostructures for further device improvement as they become important when downscaling structures. Recent Raman studies focused mainly on the D mode to characterize the defects in graphene and graphene nanoribbons (GNR) whereas not much attention has been paid to the D′ mode that is smaller in Raman intensity. In this work we show by comparison with AFM measurements of the GNR width that both defect‐induced Raman modes have different scattering length scales. Furthermore the size and quality of lithographically defined GNRs can be estimated by a close analysis of the defect‐induced Raman modes and the width of the well‐studied 2D mode of graphene. The findings are explained by the different vibration pattern for both Raman modes and the differences in the matrix elements determining the Raman intensity, i.e. the electron‐phonon coupling and the phonon density of states.
Size‐ and Interface‐Modulated Metal–Insulator Transition in Solution‐Synthesized Nanoscale VO2‐TiO2‐VO2 Heterostructures
Authors: Li Xuefei , Schaak Raymond E. 
Published: October 2017

AbstractThe M1 form of vanadium dioxide, which exhibits a reversible insulator–metal transition above room temperature, has been incorporated into nanoscale heterostructures through solution‐phase epitaxial growth on the tips of rutile TiO2 nanorods. Four distinct classes of VO2‐TiO2‐VO2 nanorod heterostructures are accessible by modulating the growth conditions. Each type of VO2‐TiO2‐VO2 nanostructure has a different insulator–metal transition temperature that depends on the VO2 domain sizes and the TiO2‐VO2 interfacial strain characteristics.
CODH‐IV: eine hocheffiziente CO‐Dehydrogenase mit Resistenz gegen O2
Authors: Domnik Lilith , Merrouch Meriem , Goetzl Sebastian , Jeoung Jae‐Hun , Léger Christophe , Dementin Sébastien , Fourmond Vincent , Dobbek Holger 
Published: October 2017

AbstractCO‐Dehydrogenasen (CODHs) katalysieren die reversible Umsetzung zwischen CO und CO2. Genomische Analysen deuten darauf hin, dass CODHs unterschiedliche metabolische Funktionen haben. Das Genom von Carboxydothermus hydrogenoformans kodiert fünf CODHs (CODH‐I–V), von denen CODH‐IV in einem Gencluster gemeinsam mit einem Peroxid‐reduzierenden Enzym vorliegt. Unsere kinetischen und kristallographischen Analysen zeigen, dass sich CODH‐IV von anderen CODHs durch charakteristische Merkmale unterscheidet: CODH‐IV hat eine hohe Affinität für CO, oxidiert CO mit diffusionslimitierter Geschwindigkeit über einen weiten Temperaturbereich und ist toleranter gegen O2 als CODH‐II. Daher stützen unsere Beobachtungen die Idee, dass CODH‐IV als CO‐Fänger bei der Abwehr von oxidativem Stress agiert und unterstreichen, dass CODHs in Bezug auf ihre Reaktivität diverser als erwartet sind.
Total Synthesis of Lycoricidine and Narciclasine by Chemical Dearomatization of Bromobenzene
Authors: Southgate Emma H. , Holycross Daniel R. , Sarlah David 
Published: October 2017

AbstractThe total synthesis of lycoricidine and narciclasine is enabled by an arenophile‐mediated dearomative dihydroxylation of bromobenzene. Subsequent transpositive Suzuki coupling and cycloreversion deliver a key biaryl dihydrodiol intermediate, which is rapidly converted into lycoricidine through site‐selective syn‐1,4‐hydroxyamination and deprotection. The total synthesis of narciclasine is accomplished by the late‐stage, amide‐directed C−H hydroxylation of a lycoricidine intermediate. Moreover, the general applicability of this strategy to access dihydroxylated biphenyls is demonstrated with several examples.
Detailed Evidence for an Unparalleled Interaction Mode between Calmodulin and Orai Proteins
Authors: Traxler Lukas , Rathner Petr , Fahrner Marc , Stadlbauer Michael , Faschinger Felix , Charnavets Tatsiana , Müller Norbert , Romanin Christoph , Hinterdorfer Peter , Gruber Hermann J. 
Published: October 2017

AbstractCalmodulin (CaM) binds most of its targets by wrapping around an amphipathic α‐helix. The N‐terminus of Orai proteins contains a conserved CaM‐binding segment but the binding mechanism has been only partially characterized. Here, microscale thermophoresis (MST), surface plasmon resonance (SPR), and atomic force microscopy (AFM) were employed to study the binding equilibria, the kinetics, and the single‐molecule interaction forces involved in the binding of CaM to the conserved helical segments of Orai1 and Orai3. The results consistently indicated stepwise binding of two separate target peptides to the two lobes of CaM. An unparalleled high affinity was found when two Orai peptides were dimerized or immobilized at high lateral density, thereby mimicking the close proximity of the N‐termini in native Orai oligomers. The analogous experiments with smooth muscle myosin light chain kinase (smMLCK) showed only the expected 1:1 binding, confirming the validity of our methods.
Effect of aluminum hydroxide on low‐molecular‐weight siloxane distribution and microstructure of high‐temperature vulcanized silicone rubber
Authors: Wang Zheng , Yin Chongshan , Luo Yi , Chen Long , Zhou Yuming , He Chunqing , Fang Pengfei , Peng Xiangyang , Huang Zhen 
Published: October 2017

ABSTRACTThis paper investigates the effect of aluminum hydroxide (ATH) content on the free volume and surface recovery property of polydimethylsiloxane (PDMS)–based silicone rubber containing low‐molecular‐weight siloxanes. With increasing ratio of ATH up to 43.1 wt %, the concentration of cyclic siloxanes (Dn = [(CH3)2SiO]n, n = 4–12) in the PDMS matrix increases remarkably, indicative of a spacing effect of ATH particles on the crosslinking of PDMS chains. When more ATH is added, the concentration of D4–D12 began to decrease. PDMS network variation is verified by free volume size corresponding to τ3 in positron annihilation lifetime spectroscopy. The o‐Ps intensity decreases linearly with ATH content. Data obtained from X‐ray photoelectron spectroscopy suggest the surface recovery property is weakened by ATH. This process is dominated by the amount of free volume holes in the sample. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45803.
Impacts of fishing, river flow and connectivity loss on the conservation of a migratory fish population
Authors: Lin Hsien‐Yung , Brown Christopher J. , Dwyer Ross G. , Harding Doug J. , Roberts David T. , Fuller Richard A. , Linke Simon , Possingham Hugh P. 
Published: October 2017

Abstract

Migratory species depend on connected habitats and appropriate migratory cues to complete their life cycles. Diadromous fish exemplify species with migratory life cycles by moving between connected freshwater and saltwater habitats to reproduce. However, migration increases the exposure of fish to multiple threats and it is critical that managers integrate habitat connectivity into resource management and conservation.
The benefit of alternative management actions was assessed for a diadromous fish, the Australian bass Percalates novemaculeata, using a spatio‐temporal population model informed by individual‐based movement data. The management actions comprise seasonal closures during the spawning season, and controlling fishing pressure by limiting catch or effort.
The benefits of implementing seasonal closures depend upon interactions among how fishing pressure is controlled, the response of anglers to fishery regulations and river flow regimes. The results indicated that seasonal closures are ineffective if fishing pressure is merely displaced to another location or time of year. In addition, shifting seasonal closures from spawning grounds to feeding grounds increased population abundances under low flow events when fishing effort was also controlled. However, when total annual catch is limited by a fishery closure, changing the location of seasonal closure schemes had little effect.
The findings in this study highlight the need for flexible management strategies that account for migratory movements and respond both to variations in connectivity (e.g. river flow regime) and direct pressures on survivorship (e.g. exploitation). As the implementation of one management action (e.g. fishing or water regulation) could affect the influence of another management action, this study emphasizes the importance of cooperation between resource managers in conserving migratory species.
Structural microhabitat use by endemic cyprinids in a Mediterranean‐type river: Implications for restoration practices
Authors: Santos José Maria , Rivaes Rui , Boavida Isabel , Branco Paulo 
Published: October 2017

Abstract

Endemic freshwater fish from the Mediterranean region are among the most threatened species in the world owing to increasing river degradation. Because of such threats, the number of river restoration projects has greatly increased. However, they are seldom planned with consideration of the species' life history, often resulting in erroneous practices that compromise their success.
This study assessed the seasonal and size‐related microhabitat use by three endemic cyprinids (Iberian barbel, Luciobarbus bocagei; Iberian straight‐mouth nase, Pseudochondrostoma polylepis; and calandino, Squalius alburnoides) using a modified point electrofishing procedure in a Mediterranean river. A multivariate approach was then employed to analyse both structural resource use and availability data.
All species showed non‐random microhabitat use. The barbel and nase shifted to faster‐flowing positions (>25 cm s−1) with a coarser substratum (>150 mm particle size) during spring and to sheltered positions (50–100% instream cover) during autumn. Calandino selected more covered areas in autumn (>60% cover) and shifted to shallower positions from this season (>40 cm) to summer (<35 cm).
Significant size‐related differences in microhabitat use were consistent for the three species, with smaller individuals occupying on average shallower microhabitats. Significant resource‐use overlap between species size classes increased from autumn to summer, occurring mainly between juvenile and small adult barbel and calandino.
The present study helped develop recommendations for river restoration practices that may have a wider application, particularly for other Mediterranean‐type rivers. Cover was found to be critical for all species, in particular for calandino, which could be classified as a shelter‐oriented eurytopic species. Restoration scenarios should therefore consider maintaining cover habitats during unfavourable flow conditions for these species. Lithophilic spawners, which were highly responsive to velocity and substratum, could particularly benefit from the creation of gravel bedforms and artificial riffles to enhance depth and flow variability.
Determination of thiocyanate as a biomarker of tobacco smoke constituents in selected biological materials of human origin
Authors: Narkowicz Sylwia , Jaszczak Ewa , Polkowska Żaneta , Kiełbratowska Bogumiła , Kotłowska Alicja , Namieśnik Jacek 
Published: October 2017

AbstractIn order to protect human health, it is necessary to biomonitor toxic substances originating from tobacco smoke in biological materials sampled from persons with different exposures to tobacco smoke constituents. Thiocyanate anion is a biomarker of exposure to tobacco smoke components which is characterized by a relatively long half‐life in the human body, i.e. 6 days. In this work, we present the results of thiocyanate determinations performed on samples of placenta, meconium, saliva, breast milk, sweat and blood. The placenta samples were subjected to accelerated solvent extraction with water. The thiocyanate concentrations were determined using ion chromatography. The analyzed biological materials were compared with regard to their applicability for biomonitoring toxic substances originating from tobacco smoke. The highest mean concentrations of thiocyanate were observed in the samples of biological materials collected from active smokers.
Toxicokinetics of strychnine and brucine after the oral administration of Biqi capsule to rats by RRLC–MS/MS
Authors: Zheng Hao , Wang Zhe , Liu Wenwei , Jin Hongtao , Zhang Jinlan 
Published: October 2017

AbstractBiqi capsule is a well‐known traditional Chinese medicine formula that has been widely applied for the clinical treatment of such diseases as rheumatoid arthritis, scapulohumeral periarthritis and cervical spondylopathy. However, there is concern regarding the toxicity of Biqi capsule owing to its active ingredients, strychnine and brucine. To investigate the toxicokinetics of strychnine and brucine after oral administration of Biqi capsule to rats, a sensitive and simple rapid‐resolution liquid chromatography/tandem mass spectrometry method was developed to determine the levels of strychnine and brucine in rat plasma. Chromatographic separation was performed on a Capcell Pak C18 MG II (3.0 μm, 2.0 × 35 mm) column by gradient elution with acetonitrile and 0.2% formic acid as the mobile phase. The method was validated over the range of 0.25–250 ng/mL for strychnine and 0.025–25 ng/mL for brucine. The intra‐ and inter‐day accuracies of strychnine and brucine in rat plasma were 100.3–106.6 and 90.75–106.1% respectively, and the precisions were within 14.2%. The established method was successfully applied to the toxicokinetic study of strychnine and brucine after single and multiple oral administration of Biqi capsule to male and female rats at 0.4, 0.8 and 1.6 g/kg doses. The results showed different toxicokinetic characteristics in the different groups.
Regulating DNA Self‐assembly by DNA–Surface Interactions
Authors: Liu Longfei , Li Yulin , Wang Yong , Zheng Jianwei , Mao Chengde 
Published: October 2017

AbstractDNA self‐assembly provides a powerful approach for preparation of nanostructures. It is often studied in bulk solution and involves only DNA–DNA interactions. When confined to surfaces, DNA–surface interactions become an additional, important factor to DNA self‐assembly. However, the way in which DNA–surface interactions influence DNA self‐assembly is not well studied. In this study, we showed that weak DNA–DNA interactions could be stabilized by DNA–surface interactions to allow large DNA nanostructures to form. In addition, the assembly can be conducted isothermally at room temperature in as little as 5 seconds.
Panel of New Thermostable CYP116B Self‐Sufficient Cytochrome P450 Monooxygenases that Catalyze C−H Activation with a Diverse Substrate Scope
Authors: Tavanti Michele , Porter Joanne L. , Sabatini Selina , Turner Nicholas J. , Flitsch Sabine L. 
Published: October 2017

AbstractThe ability of cytochrome P450 monooxygenases to catalyse a wide variety of synthetically challenging C−H activation reactions makes them highly desirable biocatalysts both for the synthesis of chiral intermediates and for late‐stage functionalisations. However, P450s are plagued by issues associated with poor expression, solubility and stability. Catalytically self‐sufficient P450s, in which the haem and reductase domains are fused in a single protein, obviate the need for additional redox partners and are attractive as biocatalysts. Here we present a panel of natural self‐sufficient P450s from thermophilic organisms (CYP116B65 from A. thermoflava, CYP116B64 from A. xiamenense, CYP116B63 from J. thermophila, CYP116B29 from T. bispora and CYP116B46 from T. thermophilus). These P450s display enhanced expression and stability over their mesophilic homologues. Activity profiling of these enzymes revealed that each P450 displayed a different fingerprint in terms of substrate range and reactivity that cover reactions as diverse as hydroxylation, demethylation, epoxidation and sulfoxidation. The productivity of the bio‐transformation of diclofenac to produce the 5‐hydroxy metabolite increased 42‐fold using the thermostable P450‐AX (>0.5 g L−1 h−1) compared to the P450‐RhF system reported previously. In conclusion, we have generated a toolkit of thermostable self‐sufficient P450 biocatalysts with a broad substrate range and reactivity.
Graphite Sheets as High‐Performance Low‐Cost Anodes for Microbial Fuel Cells Using Real Food Wastewater
Authors: Mohamed Hend Omar , Obaid Mohamed , Sayed Enas Taha , Abdelkareem Mohammad Ali , Park Mira , Liu Yanan , Kim Hak-Yong , Barakat Nasser A. M. 
Published: October 2017

AbstractGraphite paper is introduced as efficient and low‐cost anode in an air‐cathode microbial fuel cell (MFC) for simultaneous wastewater treatment and power generation using real food wastewater. Graphite paper as the cheapest investigated material provided the best electrochemical results in an MFC with an excellent open cell voltage. The significantly increased power generation could be attributed to the large surface area of the anode, leading to enhanced bacterial attachment on the graphite anode surface. Regarding wastewater treatment, the graphite anode exhibited the highest removal of organic pollutants and the highest coulombic efficiency. It shows an excellent efficiency as a bio‐anode in the air‐MFC for producing electricity and treating industrial wastewaters without requiring external mediators.
Accurate model based on artificial intelligence for prediction of carbon dioxide solubility in aqueous tetra‐n‐butylammonium bromide solutions
Authors: Hoseinpour Seyed‐Ahmad , Barati‐Harooni Ali , Nadali Payam , Mohebbi Armin , Najafi‐Marghmaleki Adel , Tatar Afshin , Bahadori Alireza 
Published: October 2017

AbstractThis study highlights the application of radial basis function (RBF) neural networks, adaptive neuro‐fuzzy inference systems (ANFIS), and gene expression programming (GEP) in the estimation of solubility of CO2 in aqueous solutions of tetra‐n‐butylammonium bromide (TBAB). The experimental data were gathered from a published work in literature. The proposed RBF network was coupled with genetic algorithm (GA) to access a better prediction performance of model. The structure of ANFIS model was trained by using hybrid method. The input parameters of the model were temperature, pressure, mass fraction of TBAB in feed aqueous solution (wTBAB), and mole fraction of TBAB in aqueous phase (xTBAB). The solubility of CO2 (xCO2) was the output parameter. Statistical and graphical analyses of the results showed that the proposed GA‐RBF, Hybrid‐ANFIS, and GEP models are robust and precise in the estimation of literature solubility data.
Benzyl Mono‐P‐Fluorophosphonate and Benzyl Penta‐P‐Fluorophosphate Anions Are Physiologically Stable Phosphotyrosine Mimetics and Inhibitors of Protein Tyrosine Phosphatases
Authors: Wagner Stefan , Accorsi Matteo , Rademann Jörg 
Published: October 2017

Abstractα,α‐Difluoro‐benzyl phosphonates are currently the most popular class of phosphotyrosine mimetics. Structurally derived from the natural substrate phosphotyrosine, they constitute classical bioisosteres and have enabled the development of potent inhibitors of protein tyrosine phosphatases (PTP) and phosphotyrosine recognition sites such as SH2 domains. Being dianions bearing two negative charges, phosphonates, however, do not permeate membranes and thus are often inactive in cells and have not been a successful starting point toward therapeutics, yet. In this work, benzyl phosphonates were modified by replacing phosphorus‐bound oxygen atoms with phosphorus‐bound fluorine atoms. Surprisingly, mono‐P‐fluorophosphonates were fully stable under physiological conditions, thus enabling the investigation of their mode of action toward PTP. Three alternative scenarios were tested and mono‐P‐fluorophosphonates were identified as stable reversible PTP1B inhibitors, despite of the loss of one negative charge and the replacement of one oxygen atom as an H‐bond donor by fluorine. In extending this replacement strategy, α,α‐difluorobenzyl penta‐P‐fluorophosphates were synthesized and found to be novel phosphotyrosine mimetics with improved affinity to the phosphotyrosine binding site of PTP1B.
A New Member of the Inverted Cucurbit[n]uril Family
Authors: Wang Xin‐Xin , Chen Kai , Shen Fang‐Fang , Hua Zi‐Yi , Qiu Sheng‐Chao , Zhang Yun‐Qian , Cong Hang , Liu Qing‐Yun , Tao Zhu , Xiao Xin 
Published: October 2017

AbstractA new inverted cucurbituril, namely inverted hexamethylcucurbit[3,3]uril (iMe6Q[3,3]), has been isolated and characterized. It incorporates a single inverted un‐substituted glycoluril unit oriented towards the interior of the cavity, shows good solubility in water and organic solvents (DMSO), and exhibits different selectivity for guests to those of iQ[6] and other known Q[6]s.