bluuebunny/crossref_metadata_2025_split huggingface dataset:
Functionalized Natural Carbon‐Supported Nanoparticles as Excellent Catalysts for Hydrocarbon Production
Authors: Sun Jian , Guo Lisheng , Ma Qingxiang , Gao Xinhua , Yamane Noriyuki , Xu Hengyong , Tsubaki Noritatsu 
Published: December 2016

AbstractWe report a one‐pot and eco‐friendly synthesis of carbon‐supported cobalt nanoparticles, achieved by carbonization of waste biomass (rice bran) with a cobalt source. The functionalized biomass provides carbon microspheres as excellent catalyst support, forming a unique interface between hydrophobic and hydrophilic groups. The latter, involving hydroxyl and amino groups, can catch much more active cobalt nanoparticles on surface for Fischer–Tropsch synthesis than chemical carbon. The loading amount of cobalt on the final catalyst is much higher than that prepared with a chemical carbon source, such as glucose. The proposed concept of using a functionalized natural carbon source shows great potential compared with conventional carbon sources, and will be meaningful for other fields concerning carbon support, such as heterogeneous catalysis or electrochemical fields.
Transit trip distribution model considering land use differences between catchment areas
Authors: Wang Shuwei , Sun Lishan , Rong Jian , Hao Siyuan , Luo Wei 
Published: December 2016

SummarySustainable land use planning and advanced public transport system are believed to be effective solutions to traffic congestion. To this end, it is important to reveal the relationship between transit ridership and land use. However, current Direct Ridership Models only focus on the relationship between single station's boarding volume and the corresponding catchment area land use. This paper analyzed the ridership distribution between transit stations by considering the land use difference between catchment areas. Land use difference was calculated from point of interest (POI) data extracted from an electronic map of Beijing; transit trip distribution volume was obtained from ‘automatic fare collection’ facility. After data specification, a transit ridership distribution model was proposed and calibrated. The calibration results suggest that land use difference has a directly proportional correlation with transit ridership distribution. The research findings build a bridge between detailed urban form and public transport, which is of significance for the further research of sustainable urban planning. Copyright © 2016 John Wiley & Sons, Ltd.
Effect of Glycosylation on the Biocatalytic Properties of Hydroxynitrile Lyase from the Passion Fruit, Passiflora edulis: A Comparison of Natural and Recombinant Enzymes
Authors: Nuylert Aem , Ishida Yuko , Asano Yasuhisa 
Published: December 2016

AbstractA hydroxynitrile lyase from the passion fruit Passiflora edulis (PeHNL) was isolated from the leaves and showed high stability in biphasic co‐organic solvent systems for cyanohydrin synthesis. Cyanohydrins are important building blocks for the production of fine chemicals and pharmaceuticals. Thus, to enhance production yields of PeHNL for industrial applications, we cloned and expressed recombinant PeHNL in Escherichia coli BL21(DE3) and Pichia pastoris GS115 cells without a signal peptide sequence. The aim of this study is to determine the effect of N‐glycosylation on enzyme stability and catalytic properties in microbial expression systems. PeHNL from leaves (PeHNL‐N) and that expressed in P. pastoris (PeHNL‐P) were glycosylated, whereas that expressed in E. coli (PeHNL‐E) was not. The enzymes PeHNL‐N and PeHNL‐P showed much better thermostability, pH stability, and organic solvent tolerance than the deglycosylated enzyme PeHNL‐E and the deglycosylated mutant N105Q from P. pastoris (PeHNL‐P‐N105Q). The glycosylated PeHNL‐P also efficiently performed transcyanation of (R)‐mandelonitrile with a 98 % enantiomeric excess in a biphasic system with diisopropyl ether. These data demonstrate the efficacy of these methods for improving enzyme expression and stability for industrial application through N‐glycosylation.
H2 Generation with (Mixed) Plasmonic Cu/Au‐TiO2 Photocatalysts: Structure–Reactivity Relationships Assessed by in situ Spectroscopy
Authors: Priebe Jacqueline B. , Radnik Jörg , Kreyenschulte Carsten , Lennox Alastair J. J. , Junge Henrik , Beller Matthias , Brückner Angelika 
Published: December 2016

AbstractMonometallic Cu and bimetallic Cu/Au‐TiO2 catalysts were prepared by impregnation (IM) and reductive precipitation (RP) methods in sequential (SP) and simultaneous mode (CP) and tested for photocatalytic H2 generation from H2O/methanol mixtures with visible (400–700 nm) and UV/Vis light (320–500 nm). Comprehensive studies by high‐resolution (HR)‐STEM, X‐ray photoelectron spectroscopy (XPS), and different in situ methods (X‐ray absorption near‐edge structure (XANES), UV/Vis, and EPR spectroscopy) revealed that IM leads to dispersed surface Cu species with no clear particle formation, which is poorly active under visible light, whereas plasmonic Cu0 nanoparticles formed by RP are about three times more active under the same conditions. In Cu/Au‐TiO2 catalysts prepared by RP‐SP, highly dispersed Cu surface species boost H2 production under UV/Vis light, owing to the effective separation within TiO2 and electron trapping by Cu, whereas small Cu0 and Au0 particles remain widely separated. When Cu/Au‐TiO2 catalysts are prepared by RP‐CP, mixed Cu/Au particles of uniform size (4–8 nm) provide the highest H2 evolution rates under visible light, owing to effective surface plasmon resonance absorption.
4‐Nitrophenol Reduction by a Single Platinum Palladium Nanocube Caged within a Nitrogen‐Doped Hollow Carbon Nanosphere
Authors: Zhang Chunmei , Zhang Ruizhong , He Shuijian , Li Lei , Wang Xiaodan , Liu Minmin , Chen Wei 
Published: December 2016

AbstractThe improvement of the utilization efficiency and the enhancement of the catalytic activity and stability of precious‐metal‐based nanocatalysts is a hot topic in the field of catalysis. In the present study, a single‐nanoparticle catalyst with a high stability is realized by confining a single surface‐cleaned PtPd alloy nanocube within a N‐doped hollow carbon nanosphere (PtPd@N‐HCS). The microporous carbon shell makes the encaged PtPd nanocube accessible to the reacting molecules. Compared with PtPd nanocubes protected by polyvinylpyrrolidone (PVP‐PtPd) and N‐doped carbon spheres, PtPd@N‐HCS exhibited a better catalytic performance towards 4‐nitrophenol reduction. Under the catalysis of PtPd@N‐HCS, 4‐nitrophenol can be reduced completely to 4‐aminophenol (100 %) in 2 min; however, only 50 and 20 % of 4‐nitrophenol was degraded in 2 min with PVP‐PtPd and N‐HCS as catalysts. Moreover, as a result of the confinement of PtPd nanocubes in hollow nanospheres, PtPd@N‐HCS showed a high catalytic stability with 100 % conversion maintained over at least four cycles.
Robust Colloidal Nanoparticles of Pyrrolopyrrole Cyanine J‐Aggregates with Bright Near‐Infrared Fluorescence in Aqueous Media: From Spectral Tailoring to Bioimaging Applications
Authors: Yang Cangjie , Wang Xiaochen , Wang Mingfeng , Xu Keming , Xu Chenjie 
Published: December 2016

AbstractColloidal nanoparticles (NPs) containing near‐infrared‐fluorescent J‐aggregates (JAGGs) of pyrrolopyrrole cyanines (PPcys) stabilized by amphiphilic block co‐polymers were prepared in aqueous medium. JAGG formation can be tuned by means of the chemical structure of PPcys, the concentration of chromophores inside the polymeric NPs, and ultrasonication. The JAGG NPs exhibit a narrow emission band at 773 nm, a fluorescence quantum yield comparable to that of indocyanine green, and significantly enhanced photostability, which is ideal for long‐term bioimaging.
Thermodynamic Insights on a Bistable Acid–Base Switchable Molecular Shuttle with Strongly Shifted Co‐conformational Equilibria
Authors: Ragazzon Giulio , Credi Alberto , Colasson Benoit 
Published: December 2016

AbstractBistable [2]rotaxanes in which the affinities of the two stations can be reversed form the basis of molecular shuttles. Gaining quantitative information on such rotaxanes in which the ring distribution between the two stations is largely nonsymmetric has proven to be very challenging. Herein, we report on two independent experimental methodologies, based on luminescence lifetime measurements and acid–base titrations, to determine the relative populations of the two co‐conformations of a [2]rotaxane. The assays yield convergent results and are sensitive enough to measure an equilibrium constant (K≈4000) out of reach for NMR spectroscopy. We also estimate the ring distribution constant in the switched (deprotonated) state (K′<10−4), and report the highest positional efficiency for stimuli‐induced shuttling to date (>99.92 %). Finally, our results show that the pKa of the pH‐responsive station depends on the ring affinity of the pH‐insensitive station, an observation that paves the way for the design of new artificial allosteric systems.
Deutschland braucht Chemie‐Gründungen
Authors: Bengs Holger 
Published: December 2016

AbstractDeutschland braucht mehr Unternehmergeist in einem der bedeutendsten Industriezweige des Landes, der Chemie. Das gilt für tatkräftiges Handeln in großen Unternehmen gleichermaßen wie an den Hochschulen und Forschungsinstituten mit ihren technologischen Keimzellen für neue Unternehmen. Viele Jahre dominierten Begriffe wie Nano‐ oder Biotechnologie das Umfeld Entrepreneurship [1]. Es ist Zeit, über die Verantwortung der Kreativen und Macher in der Chemie zu sprechen.
Erkennt die Signale
Authors: Groß Michael 
Published: December 2016

AbstractDamit ein frisch hergestelltes Protein auch dort ankommt, wo es benötigt wird, haben unsere Zellen das Signalerkennungspartikel. Seine Funktionsweise wurde an In‐vitro‐Modellsystemen bereits in den 1990er Jahren erkannt und untersucht, doch nun kann man sein gesamtes Kontaktnetzwerk in der lebenden Zelle analysieren. Dies gelang jetzt sowohl bei der Hefe als auch bei Bakterien.
Temporal trends and outcomes associated with atrial fibrillation observed during acute coronary syndrome: Real‐world data from the Acute Coronary Syndrome Israeli Survey (ACSIS), 2000–2013
Authors: Erez Aharon , Goldenberg Ilan , Sabbag Avi , Nof Eyal , Zahger Doron , Atar Shaul , Pollak Arthur , Dobrecky‐Merye Idit , Beigel Roy , Matetzky Shlomi , Glikson Michael , Beinart Roy 
Published: December 2016

BackgroundThe past decade has brought major advances in therapy of patients presenting with acute coronary syndromes (ACS).HypothesisThe outcomes of ACS patients with atrial fibrillation (AF) has improved over the years.MethodsWe evaluated time‐dependent changes in clinical characteristics, management strategies, and outcomes associated with AF observed during ACS hospitalization in patients enrolled in the biannual ACS Israeli Surveys (ACSIS) between 2000 and 2013. We divided the surveys into early (2000–2006) and late (2008–2013) time periods.ResultsThe study population comprised 13 297 ACS patients, of whom 755 (5.7%) either presented with or developed AF during the index hospitalization. The incidence of AF observed during ACS hospitalization was lower during the later period (6.2% vs 4.9%; P < 0.01). Kaplan‐Meier survival analysis showed that 1‐year mortality rates were significantly lower among ACS patients with and without AF who were enrolled during the later vs early survey period (log‐rank P < 0.01 for the overall difference). However, AF observed among ACS patients was still associated with increased risk for in‐hospital complications and 30‐day and 1‐year mortality during both the early and late survey periods (P < 0.05 for all comparisons).ConclusionsIn 10 years, rates of AF among ACS patients have declined significantly. Yet, despite improved overall 1‐year survival for patients with AF, the development of AF in this population remains an independent predictor of mortality that has not changed appreciably over the years.
Design, Synthesis, and Structure–Activity Relationships of Bavachinin Analogues as Peroxisome Proliferator‐Activated Receptor γ Agonists
Authors: Du Guoxin , Zhao Yuanyuan , Feng Li , Yang Zhuo , Shi Jiye , Huang Cheng , Li Bo , Guo Fujiang , Zhu Weiliang , Li Yiming 
Published: December 2016

AbstractPeroxisome proliferator‐activated receptor γ (PPARγ) agonists have been used for the treatment of diabetes with the effect of lowering blood glucose levels and improving insulin sensitivity. Natural compounds such as flavones, flavanones, and isoflavones have shown excellent PPARγ agonist activity. In this study, analogues of bavachinin were designed, synthesized, and evaluated by reporter gene assays for PPARγ agonist activity. Preliminary structure–activity relationships for these bavachinin analogues have been summarized, and seven compounds were found to have higher PPARγ agonist activities than the parent flavanone bavachinin.
Clinical value of fully automated p16/Ki‐67 dual staining in the triage of HPV‐positive women in the Norwegian Cervical Cancer Screening Program
Authors: Ovestad Irene T. , Dalen Ingvild , Hansen Elisabeth , Loge Janne L. D. , Dybdahl Britt Mona , Dirdal Marius B. , Moltu Pia , Berland Jannicke M. 
Published: December 2016

BACKGROUNDMore accurate biomarkers in cervical cytology screening could reduce the number of women unnecessarily referred for biopsy. This study investigated the ability of p16/Ki‐67 dual staining to predict high‐grade cervical intraepithelial neoplasia (CIN) in human papillomavirus (HPV)–positive women from the Norwegian Cervical Cancer Screening Program.METHODSAutomated p16/Ki‐67 dual staining was performed on liquid‐based cytology samples from 266 women who were HPV‐positive at their secondary screening. At a mean of 184 days after p16/Ki‐67 staining, 201 women had a valid staining result and a conclusive follow‐up diagnosis (histological diagnosis or HPV‐negative diagnosis with normal cytology findings). The sensitivity and specificity for predicting the follow‐up diagnosis were compared for cytology, p16/Ki‐67 dual staining, and their combination.RESULTSSixty‐seven percent of the study sample was p16/Ki‐67–positive. The sensitivity of p16/Ki‐67 staining for predicting CIN‐2/3 was statistically significantly higher than the sensitivity of cytology (0.88 vs 0.79; P = .008), but this was not true for the prediction of CIN‐3 (0.94 vs 0.88; P = .23). The specificity of cytology for predicting CIN‐3 was significantly higher than the specificity of p16/Ki‐67 staining (0.35 vs 0.28; P = .002), but this was not true for CIN‐2/3 (0.35 vs 0.31; P = .063). For predicting CIN‐2/3 and CIN‐3, combination testing gave potentially better sensitivity (0.95 and 0.96, respectively) and better specificity (0.49 and 0.50, respectively).CONCLUSIONSIn a population of HPV‐positive women, p16/Ki‐67 dual staining was more sensitive but less specific than cytology for predicting high‐grade CIN. The advantage of using both tests in different combinations is the potential for increasing the specificity or sensitivity in comparison with both methods performed individually. Cancer Cytopathol 2017;125:283–291. © 2016 American Cancer Society.
Maternal deprivation alters expression of neural maturation gene tbr1 in the amygdala paralaminar nucleus in infant female macaques
Authors: de Campo Danielle M. , Cameron Judy L. , Miano Joseph M. , Lewis David A. , Mirnics Karoly , Fudge Julie L. 
Published: December 2016

AbstractEarly parental loss is associated with social–emotional dysregulation and amygdala physiologic changes. Previously, we examined whole amygdala gene expression in infant monkeys exposed to early maternal deprivation. Here, we focus on an amygdala region with immature neurons at birth: the paralaminar nucleus (PL). We hypothesized that 1) the normal infant PL is enriched in a subset of neural maturation (NM) genes compared to a nearby amygdala subregion; and 2) maternal deprivation would downregulate expression of NM transcripts (mRNA). mRNAs for bcl2, doublecortin, neuroD1, and tbr1—genes expressed in post‐mitotic neurons—were enriched in the normal PL. Maternal deprivation at either 1 week or 1 month of age resulted in PL‐specific downregulation of tbr1—a transcription factor necessary for directing neuroblasts to a glutamatergic phenotype. tbr1 expression also correlated with typical social behaviors. We conclude that maternal deprivation influences glutamatergic neuronal development in the PL, possibly influencing circuits mediating social learning.
Alkali Carbonate Molten Salt Coated Calcium Oxide with Highly Improved Carbon Dioxide Capture Capacity
Authors: Huang Liang , Zhang Yu , Gao Wanlin , Harada Takuya , Qin Qingqing , Zheng Qianwen , Hatton T. Alan , Wang Qiang 
Published: December 2016

AbstractCO2 reduction is crucial if the effects of this gas on global warming are to be alleviated. We report for the first time an alkali carbonate molten salt promoted CaO‐based CO2 sorbent with CO2 capture performance superior to that of neat CaO. The influences of chemical composition, loading, and melting temperature of the (Li–Na–K)2CO3 molten salts and of the calcination and adsorption temperatures on CO2 capture were evaluated systematically. The microstructural and morphological evolution of the samples during CO2 adsorption was studied by X‐ray diffraction, scanning electron microscopy, and Fourier‐transform infrared spectroscopy analyses. The (Li–K)2CO3 molten salt coating was found not only to promote CO2 uptake but also to facilitate CO2 desorption from CaO. In particular, at low temperatures of 500 and 600 °C, the CO2 capture capacity increased significantly from 1.19 and 3.26 mmol g−1 to 6.93 and 10.38 mmol g−1, respectively. The melting point of the molten salts was also a crucial factor in the improvement of CO2 uptake. Kinetic studies based on fractal‐like models indicated that the rate coefficients for (Li–K)2CO3/CaO were approximately 3.3 to 3.8 times larger than those for neat CaO. The coating of alkali carbonate molten salts is believed to prevent the formation of a rigid CaCO3 layer on the surface of the CaO particles and to provide continuous delivery of CO32− to promote CO2 capture. During the CO2 adsorption/desorption cycling tests, (Li–K)2CO3/CaO resulted in a stable and reversible CO2 uptake of 6.0–6.3 mmol g−1, which is much higher than that of neat CaO (2.0 mmol g−1).
Behavioral disinhibition and antiepileptic treatment in childhood epilepsy: A retrospective cohort study
Authors: van Tuijl Diana C. , Groenwold Rolf H. H. , Vlaskamp Chantal , van Campen Jolien S. , Braun Kees P. J. , Jansen Floor E. , Bruining Hilgo 
Published: December 2016

SummaryObjectiveTo test whether specific classes of antiepileptic drugs increase the risk for behavioral disinhibition, a frequent complication of treatment of childhood epilepsy.MethodsIn a sample of children with active epilepsy and antiepileptic drug (AED) treatment (n = 146, age 4–17 years), we performed a retrospective chart analysis of the occurrence of symptoms indicating reduced behavioral disinhibition following AED treatment. We used a risk‐set approach to analyze whether the presence or recent addition of AED categories defined by their mechanism of action were associated with enhanced risk for behavioral disinhibition symptoms.ResultsMean duration of follow‐up was 2,343 days (range 218–6,292, standard deviation [SD] 1,437). Episodes of behavioral disinhibition were reported in 51 (34.9%) children, with variable latencies between latest change and occurrence of behavioral disinhibition symptoms (mean 67 days, range 2–367). Current use of AEDs targeting gamma‐aminobutyric acid (GABA) (odds ratio [OR] 1.8, 95% confidence interval [CI] 1.02–3.29, p = 0.04) and SV2A‐mediated neurotransmitter release (SV2A)‐mediated (2.0, 1.13–3.60, p = 0.02) neurotransmitter release was associated with increased risk for behavioral disinhibition. Restricting the analysis to the 90 days before behavioral disinhibition episode occurrence revealed that only addition of GABAergic AEDs (OR = 26.88, 95% CI = 6.71–107.76, p < 0.001) was associated with behavioral disinhibition. In contrast to our expectations, seizure control was reported to have improved parallel to most behavioral disinhibition episodes.SignificanceThis exploration of behavioral disinhibition in relation to antiepileptic drug treatment indicates that GABA potentiating drugs are specifically associated with behavioral problems during treatment of childhood epilepsy. Behavioral disinhibition episodes often occurred while seizure control improved, which may have reduced alertness for the consequences of AEDs on interictal symptoms. Our findings may be related to the increasing evidence for a role for excitatory actions of GABA in childhood epilepsy.
Restructuring of the Stuttgart Rail Node – Successes and challenges through the example of the Ober‐ and Untertürkheim Tunnels / Neuordnung Bahnknoten Stuttgart – Erfolge und Herausforderungen am Beispiel der Tunnel nach Ober‐ und Untertürkheim
Authors: Rath Andreas , Osthoff Günter 
Published: December 2016

AbstractThe tunnels to Obertürkheim and Untertürkheim, part of the restructuring of the Stuttgart rail node, run completely through the built‐up valley of Stuttgart and are being excavated with excavator and blasting. The article describes the possibilities and limits of blasting technology under the given local conditions. For the sections passing below residential areas, various methods of modern detonation and blasting technology have been tried and used in order to reduce the emissions of noise and vibration to the minimum possible. At the same time it was also necessary to minimise the loosening of the gypsum Keuper rock mass. The tunnels will be the first underground crossing of the River Neckar in Stuttgart. A section 500 m long will pass beneath the bed of the Neckar and its former courses in the current harbour area, with cover between only 8 m and 20 m. The branch structures that separate the tunnels to Ober‐ and Untertürkheim are also in this section, with the Neckar being crossed by altogether four individual tunnels at two levels. The prevailing geological conditions permitted an optimisation of the excavation of the branch structures without the originally intended pillar tunnel, which also reduced the construction time influence of this tunnel section.Die Tunnel nach Ober‐ und Untertürkheim, Bestandteil der Neuordnung des Bahnknotens Stuttgart, verlaufen durchwegs in der innerstädtischen Stuttgarter Tallage und werden im Bagger‐ und Sprengvortrieb aufgefahren. Der Beitrag zeigt die Möglichkeiten und Grenzen der Sprengtechnik bei den gegebenen Randbedingungen auf. Für die Unterfahrung der betroffenen Wohngebiete werden unterschiedliche Ansätze der modernen Zünd‐ und Sprengtechnik erprobt und eingesetzt, um die Lärm‐ und Erschütterungsemissionen auf ein mögliches Minimum zu reduzieren. Im gleichen Maß gilt es hierbei auch, die Gebirgsauflockerungen im anstehenden Gipskeuper zu minimieren. Mit den Tunneln erfolgen in Stuttgart erstmalig bergmännische Unterquerungen des Neckars. Auf einem Abschnitt von rund 500 m werden das Neckar‐Flussbett sowie die früheren Flusslagen im heutigen Hafengebiet mit Überdeckungen zwischen lediglich 8 und maximal 20 m unterfahren. Innerhalb dieses Teilabschnitts liegen auch die Verzweigungsbauwerke zur Auftrennung der Tunnel nach Ober‐ bzw. Untertürkheim, wodurch der Neckar mit insgesamt vier Einzelröhren in zwei Ebenen unterfahren wird. Die anstehenden geologischen Verhältnisse erlaubten eine Optimierung zur Auffahrung der Verzweigungsbauwerke ohne die ursprünglich vorgesehenen Pfeilerstollen, wodurch auch der Bauzeiteinfluss dieses Vortriebsabschnitts reduziert wird.