bluuebunny/crossref_metadata_2025_split huggingface dataset:
Externe Umkehr eines Chiralitätstransfers im Photoschalter
Authors: Jurissek Christoph , Berger Fabian , Eisenreich Fabian , Kathan Michael , Hecht Stefan 
Published: December 2018

AbstractDer Transfer von Stereoinformation ist das Herzstück asymmetrischer Reaktionen. Durch die Integration des natürlichen Monoterpensl‐Menthon in das Rückgrat eines Diarylethens konnte ein effizienter Chiralitätstransfer bei der Photocyclisierung erreicht werden, was zur bevorzugten Bildung eines geschlossenen Hauptisomers mit einem Diastereomerenverhältnis (d.r.) von 85:15 führte. Noch stärker hervorzuheben ist allerdings, dass die Diastereoselektivität des Ringschlusses vollständig umgekehrt werden kann, indem die chemische Umgebung oder die Bestrahlungsbedingungen verändert werden. Infolgedessen konnte selektiv das weniger favorisierte geschlossene Isomer mit bemerkenswerten d.r.‐Werten von >99:1 bzw. 74:26 akkumuliert werden. Berechnungen zeigen, dass eine Stabilitätsinversion nach der Photocyclisierung die Grundlage für die beobachtete beispiellose Kontrolle der Diastereoselektivität ist.
Prediction of Carbon Dioxide Adsorption via Deep Learning
Authors: Zhang Zihao , Schott Jennifer A. , Liu Miaomiao , Chen Hao , Lu Xiuyang , Sumpter Bobby G. , Fu Jie , Dai Sheng 
Published: December 2018

AbstractPorous carbons with different textural properties exhibit great differences in CO2 adsorption capacity. It is generally known that narrow micropores contribute to higher CO2 adsorption capacity. However, it is still unclear what role each variable in the textural properties plays in CO2 adsorption. Herein, a deep neural network is trained as a generative model to direct the relationship between CO2 adsorption of porous carbons and corresponding textural properties. The trained neural network is further employed as an implicit model to estimate its ability to predict the CO2 adsorption capacity of unknown porous carbons. Interestingly, the practical CO2 adsorption amounts are in good agreement with predicted values using surface area, micropore and mesopore volumes as the input values simultaneously. This unprecedented deep learning neural network (DNN) approach, a type of machine learning algorithm, exhibits great potential to predict gas adsorption and guide the development of next‐generation carbons.
Regioselective Vinylation of Remote Unactivated C(sp3)−H Bonds: Access to Complex Fluoroalkylated Alkenes
Authors: Wu Shuo , Wu Xinxin , Wang Dongping , Zhu Chen 
Published: December 2018

AbstractRegioselective incorporation of a particular functional group into aliphatic sites by direct activation of unreactive C−H bonds is of great synthetic value. Despite advances in radical‐mediated functionalization of C(sp3)−H bonds by a hydrogen‐atom transfer process, the site‐selective vinylation of remote C(sp3)−H bonds still remains underexplored. Reported herein is a new protocol for the regioselective vinylation of unactivated C(sp3)−H bonds. The remote C(sp3)−H activation is promoted by a C‐centered radical instead of the commonly used N and O radicals. The reaction possesses high product diversity and synthetic efficiency, furnishing a plethora of synthetically valuable E alkenes bearing tri‐/di‐/mono‐fluoromethyl and perfluoroalkyl groups.
Nylon–MOF Composites through Postsynthetic Polymerization
Authors: Kalaj Mark , Denny Michael S. , Bentz Kyle C. , Palomba Joseph M. , Cohen Seth M. 
Published: December 2018

AbstractHybridization of metal–organic frameworks (MOFs) and polymers into composites yields materials that display the exceptional properties of MOFs with the robustness of polymers. However, the realization of MOF–polymer composites requires efficient dispersion and interactions of MOF particles with polymer matrices, which remains a significant challenge. Herein, we report a simple, scalable, bench‐top approach to covalently tethered nylon–MOF polymer composite materials through an interfacial polymerization technique. The copolymerization of a modified UiO‐66‐NH2 MOF with a growing polyamide fiber (PA‐66) during an interfacial polymerization gave hybrid materials with up to around 29 weight percent MOF. The covalent hybrid material demonstrated nearly an order of magnitude higher catalytic activity for the breakdown of a chemical warfare simulant (dimethyl‐4‐nitrophenyl phosphate, DMNP) compared to MOFs that are non‐covalently, physically entrapped in nylon, thus highlighting the importance of MOF–polymer hybridization.
Triazine based Mn (II) and Mn (II)/Ln (III) complexes: Synthesis, characterization and catecholase activities
Authors: Celik Derya , Kose Muhammet 
Published: December 2018

In the current work, two triazine‐based multidentate ligands (H2L1 and H2L2) and their homo‐dinuclear Mn (II), mononuclear Ln (III) and hetero‐dinuclear Mn (II)/Ln (III) (Where Ln: Eu or La) complexes were synthesized and characterized by spectroscopic and analytical methods. Single crystals of a homo‐dinuclear Mn (II) complex {[Mn (HL1)(CH3OH)](ClO4·CH3OH}2 (1) were obtained and the molecular structure was determined by X‐ray diffraction method. In the structure of the complex, each Mn (II) ion is seven‐coordinate and one of the phenolic oxygen bridges two Mn (II) centre forming a dimeric structure. The UV–Vis. and photoluminescence properties of synthesized ligands and their metal complexes were investigated in DMF solution and the compounds showed emission bands in the UV–Vis. region. The catecholase enzyme‐like activity of the complexes were studied for 3,5‐DTBC → 3,5‐DTBQ conversion in the presence of air oxygen. Homo‐dinuclear Mn (II) complexes (1 and 4) were found to efficiently catalyse 3,5‐DTBC → 3,5‐DTBQ conversion with the turnover numbers of 37.25 and 35.78 h−1 (kcat), respectively. Mononuclear Eu (III) and La (III) complexes did not show catecholase activity.
Development, characterization, and cross‐amplification of microsatellite markers for Psammosilene tunicoides (Caryophyllaceae)
Authors: Zhang Ai‐Li , Gao Ya‐Fang , Li Guo‐Dong , Qian Zi‐Gang 
Published: December 2018

Premise of the StudyPsammosilene tunicoides (Caryophyllaceae) is a narrowly distributed and endemic plant species in southwestern China. The overexploitation of natural P. tunicoides has led to the destruction of many populations. Population and genetic studies will provide crucial data for the protection and management of P. tunicoides. In this study, we develop simple sequence repeat markers of P. tunicoides to analyze population diversity.Methods and ResultsMicrosatellite loci of P. tunicoides were isolated with FIASCO. Eleven polymorphic and 10 monomorphic primers were developed. The 11 polymorphic primers were tested in three P. tunicoides populations, yielding two to nine alleles per locus. Levels of observed heterozygosity varied from 0.000 to 1.000, and levels of expected heterozygosity ranged from 0.000 to 0.615. In addition, three of these loci were successfully amplified, and showed polymorphism, in three Silene species.ConclusionsThese microsatellite markers can be valuable tools to investigate the genetic diversity and population structure of P. tunicoides.
Boundary control for a flexible string system with input saturation constraint
Authors: Zhao Zhijia , Ren Zhigang , Ma Yonghao 
Published: December 2018

AbstractIn this study, we focus on the boundary control problem for a vibrating string system with saturated input under the condition of external disturbances. Based on the backstepping approach, a boundary vibration control scheme is proposed to globally stabilize the string around the equilibrium position. A smooth hyperbolic tangent function is exploited to restrict the control input, an auxiliary system and a Nussbaum function are adopted to cope with the nonlinear term derived from the input saturation, and a disturbance observer is employed to tackle the boundary disturbance. The developed controller can assure the convergence of the closed‐loop system state to a small neighbourhood of zero. By the appropriate choice of control design parameters, numerical simulation is conducted to show the effectiveness of the derived control.
Peroxide Yield of the (001) La0.6Sr0.4MnO3 Surface as a Bifunctional Electrocatalyst for the Oxygen Reduction Reaction and Oxygen Evolution Reaction in Alkaline Media
Authors: Köhler Lennart , Szabadics Lukas , Jooss Christian , Risch Marcel 
Published: December 2018

AbstractActive and stable bifunctional electrocatalysts are required for large‐scale deployment of rechargeable metal‐air and metal‐O2 batteries. This is hindered by the large overpotentials of the oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) in alkaline media, where peroxide is an undesired side product. We study the suitability of epitaxial (001)‐oriented La0.6Sr0.4MnO3 perovskite surfaces as a bifunctional catalyst using a rotating‐ring disk electrode (RRDE) assembly and focus particularly on the selectivity of the ORR. The peroxide yield is above 50 % during ORR‐only investigations in the scan range of 0.69 to 0.99 V vs. RHE where the CV traces are reproducible. In contrast, the peroxide yield is drastically reduced during OER‐ORR cycling where a peroxide yield below 10 % is reached during the ORR in the scan range of 0.74 V to 1.74 V vs. RHE. Our study highlights the importance of the electrode history and thus clearly demonstrates that separate studies of the OER and ORR are insufficient to optimize bifunctional electrocatalysts.
True versus strategic fairness in a common resource dilemma: Evidence from the dual‐process perspective
Authors: Lu Su , Au Wing‐Tung , Zhu Yi , Jiang Feng 
Published: December 2018

AbstractCommon resource dilemmas involve collectively coordinating individual choices to promote group efficiency. Equal division represents one of the most important coordination rules. Previous research suggests that individuals follow the equality rule for different reasons. Some individuals behave cooperatively out of their concern for other's welfare, whereas some individuals cooperate strategically to enhance personal gains. Building on the dual‐process perspective, the authors aim to differentiate strategic fairness from true fairness in solving a resource dilemma. In four experiments, the effect of cognitive processing manipulations on individual harvesting behavior in a one‐shot resource dilemma was tested against participants with different social values. Results consistently showed that prosocials, who value joint outcome and equality, requested significantly less money than did proselfs, who value personal gain. More importantly, prosocials in the intuition and deliberation conditions request similar amounts, whereas proselfs in the intuition condition request more money than those in the deliberation condition. The results were further validated by a follow‐up meta‐analysis based on the four experiments. The implications of the dual‐process perspective for social coordination research are discussed.
Frischbetondruck in Elementwänden mit integriertem Dämmstoff
Authors: Schmitt Andreas , Pahn Matthias 
Published: December 2018

AbstractDer Einsatz von Halbfertigteilen im Stahlbetonbau stellt eine wirtschaftliche Bauweise dar, welche sich durch einen schnellen Baufortschritt unter Einhaltung hoher Qualitätsansprüche auszeichnet. Ein Beispiel für Halbfertigteile sind Elementwände mit integriertem Dämmstoff. Bei solchen Wänden werden im Fertigteilwerk nur die äußeren Betonschalen mit Dämmstoffkern vorgefertigt. Der tragende Endquerschnitt wird erst auf der Baustelle durch eine nachträgliche Ortbetonergänzung hergestellt. Der beim Verfüllen und Verdichten des Ortbetons auftretende Frischbetondruck muss von Verbindungsmitteln, die zur Kopplung der Betonschalen dienen, mit ausreichender Sicherheit aufgenommen werden. Der Frischbetondruck ist derzeit nach DIN 18218 „Frischbetondruck auf lotrechte Schalungen“ anzunehmen. Unter anderem bleibt die Beeinflussung des maximalen Frischbetondrucks durch den integrierten Dämmstoff bisher unberücksichtigt. Dies führt in vielen Fällen zu einer unwirtschaftlichen Bemessung der Elementwand im Bauzustand. Im Rahmen von theoretischen und experimentellen Untersuchungen werden maßgebende Einflussparameter auf den Frischbetondruck identifiziert und quantifiziert. Auf Grundlage der gewonnenen Erkenntnisse wird ein realitätsnahes Modell für die Praxis vorgestellt, welches die Berechnung des Frischbetondrucks in Elementwänden mit integriertem Dämmstoff anhand von einfachen Formeln und Diagrammen analog zur DIN 18218 ermöglicht.
Review of DBS methods as a quantitative tool for anticancer drugs
Authors: Sulochana Suresh P. , Daram Prasanthi , Srinivas Nuggehally R. , Mullangi Ramesh 
Published: December 2018

AbstractAn overview of published dried blood spot (DBS) methods for the quantitation of various classes of anticancer drugs from clinical and preclinical studies is presented. The increased reporting of DBS methods in the literature for quantitation of various classes of drugs is a testimony to their utility in bioanalytical applications. While DBS offers several advantages as compared with conventional wet sampling techniques, there remain a number of nuances that may impede the assay adaptability of DBS method in routine quantitative bioanalysis. This review covers several case studies of DBS application in the quantitation of anticancer drugs. Some perspectives are provided on the optimization of the DBS method with respect to the selection of DBS card, spot volume, hematocrit effect and other regular validation parameters, which are essential in quantitative bioanalysis. Some thoughts are provided on the existing gaps in the DBS method and possible remedial measure(s) to address such gaps. Although DBS methods have great potential, there is the need for a global consensus including regulatory support on the type of validation experiments to be performed to support quantitative data.
Predictors of side branch compromise in calcified bifurcation lesions treated with orbital atherectomy
Authors: Barman Nitin , Okamoto Naotaka , Ueda Hiroshi , Chamaria Surbhi , Bhatheja Samit , Vengrenyuk Yuliya , Gupta Eisha , Sweeny Joseph , Kapur Vishal , Hasan Choudhury , Baber Usman , Moreno Pedro , Sharma Samin , Kini Annapoorna S. 
Published: December 2018

AbstractObjectivesThe aim of the study was to identify the predictors of side branch (SB) compromise in severely calcified bifurcation lesions treated with orbital atherectomy (OA).BackgroundSB compromise remains a major complication of bifurcation lesion percutaneous coronary intervention (PCI). Higher prevalence of lipid‐rich plaques and spotty calcification by optical coherence tomography (OCT) and SB ostial stenosis by angiography have been previously suggested as predictors of SB occlusion after main vessel (MV) stenting.MethodsPatients with chronic stable angina and severely calcified bifurcation lesions, in whom provisional stenting strategy was planned, were enrolled in the study. OA was used for lesion preparation in all cases. OCT imaging of the MV was performed before and after stenting. SB compromise was defined as a composite of SB occlusion (TIMI flow grade ≤ 2) and SB intervention after MV stenting.ResultsThirty stable CAD patients with 30 severely calcified bifurcation lesions were included in the study. Twelve patients (40%) had a compromised SB after MV stenting. Compromised SB was characterized by a greater angiographic diameter stenosis (55.4 ± 8.1% vs. 35.0 ± 14.4%, P < 0.01) and a smaller minimal lumen diameters (0.79 ± 0.17 vs. 1.12 ± 0.30 mm, P = 0.002) before PCI compared to noncompromised SB. The prevalence of OCT lipid‐rich plaques was low and did not differ between the groups (18 vs. 19%, P = 0.68). There was no difference in other OCT plaque characteristics including the presence of spotty calcification.ConclusionThe severity of SB ostial disease and not MV plaque morphology contributed to SB compromise in severely calcified bifurcation lesions.
Transformative Supramolecular Vesicles Based on Acid‐Degradable Acyclic Cucurbit[n]uril and a Prodrug for Promoted Tumoral‐Cell Uptake
Authors: Mao Weipeng , Mao Dake , Yang Fan , Ma Da 
Published: December 2018

AbstractSmart supramolecular vesicles constructed by host–guest interactions between “acid‐degradable” acyclic cucurbit[n]uril (CB[n]) and a doxorubicin prodrug are reported. “Acid‐degradable” acyclic CB[n] is a high‐affinity host for several common antitumor drugs, and its degradation leads to a more dramatic decrease in binding affinity than that observed for “acid‐sensitive” hosts. Supramolecular complexation between acid‐degradable acyclic CB[n] and a doxorubicin prodrug resulted in the formation of negatively charged supramolecular vesicles. The prodrug strategy allowed doxorubicin to be conjugated to vesicles in a stable manner with a high drug‐loading ratio of 20 %. The resulting supramolecular vesicles were responsive to tumor acidity (pH 6.5). Induced by mildly acidic conditions (pH 6.5–5.5), acid‐degradable acyclic CB[n] could be degraded, and this led to a vesicle‐to‐micelle transition to form positively charged micelles. This transition resulted in a pH‐dependent change in size and surface charge, which improved tumoral‐cell uptake for doxorubicin.
Stability Challenges for Perovskite Solar Cells
Authors: Fu Rui , Zhou Wenke , Li Qi , Zhao Yao , Yu Dapeng , Zhao Qing 
Published: December 2018

AbstractAs energy issues have become prominent, intensive attention has been paid to clean and renewable energy, such as wind energy, tidal energy, geothermal energy and solar energy. Perovskite solar cells, as the third generation of solar cells, possess many advantages, including high power conversion efficiency, simple preparation method and low fabrication cost, etc. Although the power conversion efficiency of this type of photovoltaic device has increased rapidly to more than 23% in less than ten years, stability issues constrain further development. Here, we systematically discuss the degradation mechanism for perovskite materials and their corresponding solar cell devices with a focus on the n‐i‐p structure. Developed strategies for improving device stability are also summarized. We hope this review will provide helpful insights for next stage research on enhancing the state‐of‐the‐art perovskite device stability toward future commercialization.
The fitness effects of a pale mutant in the aposematic seed bugLygaeus simulansindicate pleiotropy between warning coloration and life history
Authors: Balfour Vicki L. , Aumont Cédric , Dougherty Liam R. , Shuker David M. 
Published: December 2018

AbstractConspicuous warning colors that signal chemical or other defenses are common in the natural world. For instance, such aposematic warning patterns of red‐and‐black or yellow‐and‐black are common among insect taxa, particularly in the order Hemiptera, often forming the basis of Batesian and/or Müllerian mimicry rings. In addition, it has been repeatedly noted that color polymorphisms or mutants that influence pigmentation can show pleiotropy with other behavioral, physiological, or life‐history traits. Here, we describe a pale mutant of the seed bugLygaeus simulansthat appeared in our laboratory population in 2012, which differs in color to the wild‐type bugs. Through multigenerational experimental crosses between wild‐type and pale mutantL. simulans, we first show that the pale phenotype segregates as a single Mendelian locus, with the pale allele being recessive to the wild type. Next, we show (a) that there is a large heterozygous advantage in terms of fecundity, (b) that pale females suffer reduced longevity, and (c) that pale males have increased body length compared to wild‐type homozygotes. Our data therefore suggest that the color locus is pleiotropic with a number of life‐history traits, opening the door for a more complete genetic analysis of aposematic coloration in this species. In addition, this phenotype will be useful as a visible genetic marker, providing a tool for investigating sperm competition and other post‐copulatory drivers of sexual selection in this species.
Estimation on averaging effect of large‐scale aggregation of DR transient responses of building multi air‐conditioning facilities
Authors: Suzuki Keita , Ninagawa Chuzo , Morikawa Junji , Inaba Takashi , Kondo Seiji 
Published: December 2018

AbstractBuilding‐multitype packaged air‐conditioners are expected to be possible resources of Fast Automated Demand Response (FastADR). However, transient response behaviors of each air‐conditioner are stochastic due to complicated refrigerant embedded controls. Although ensemble averaging effect is expected in aggregation of a large number of the air‐conditioners, it is difficult to carry out experiments with many actual office buildings. In this research, repetitive response time‐series data were collected from several air‐conditioners. We discuss the possibility of estimation on the ensemble averaging effects using the repetitive response data.
Assessment of submicron particle zeta potential in simple electrokinetic microdevices
Authors: Hidalgo‐Caballero Samuel , Lentz Cody Justice , Lapizco‐Encinas Blanca H. 
Published: December 2018

AbstractThe present communication illustrates the use of simple electrokinetic devices for the assessment of the zeta potential of submicron polystyrene particles. A combination of manual and automatic particle tracking was employed. This approach allows for characterizing particles in the same conditions and devices in which they can be separated, e.g. dielectrophoretic separations; making the resulting data readily applicable.
Separation and simultaneous determination of seven bioactive components in Tripterygium wilfordii Hook. F. and Tripterygium preparations by micellar electrokinetic capillary chromatography
Authors: Guo Haitao , Wang Zhiying , Xu Liying , Zhang Hongfen , Chang Ruimiao , Chen Anjia 
Published: December 2018

AbstractA simple, comprehensive, and highly selective MEKC method has been developed for simultaneous analysis of seven bioactive components (triptolide, wilfortrine, wilfordine, wilforgine, wilforine, triptophenolide, and triptonide) in the root extracts of Tripterygium wilfordii Hook. F. (TWHF) and Tripterygium preparations (TPs). Optimal BGE consisted of 10 mM sodium tetraborate, 30 mM SDS, and 30% v/v methanol. The separation voltage was 20 kV and the temperature was 25°C. A DAD was used and the detection wavelength was at 218 nm. Under the optimum conditions, the baseline separation of seven components was achieved in less than 26 min. Excellent precision, good stability, and accuracy were obtained. For all analytes, linear calibrations were established within 10–100 μg/mL. The LOD and LOQ were within 1.2–4.2 μg/mL and 4.0–14 μg/mL, respectively. The developed method was suitable for the determination of key components in TWHF and TPs.
A second‐order positivity‐preserving well‐balanced finite volume scheme for Euler equations with gravity for arbitrary hydrostatic equilibria
Authors: Thomann Andrea , Zenk Markus , Klingenberg Christian 
Published: December 2018

SummaryWe present a well‐balanced finite volume scheme for the compressible Euler equations with gravity, where the approximate Riemann solver is derived using a Suliciu relaxation approach. Besides the well‐balanced property, the scheme is robust with respect to the physical admissible states. General hydrostatic solutions are captured up to machine precision by deriving, for a given initial value problem, suitable time‐independent functions and using them in the discretization of the source term. The first‐order scheme is extended to a second‐order scheme by reconstructing in equilibrium variables while preserving the well‐balanced and robustness properties. Numerical examples are performed to demonstrate the accuracy, well‐balanced, and robustness properties of the presented scheme for up to three space dimensions.