bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bioactivity guided fractionation of methanolic extract of Terminalia arjuna for its CYP3A and CYP2D inhibition in rat liver microsomes
Authors: Varghese Alice , Saboo Prachi , Wairkar Sarika 
Published: January 2018

AbstractTerminalia arjuna (T. arjuna) is an Indian medicinal plant belonging to the family Combretaceae and possesses numerous therapeutic activities including its immense cardioprotective activity. In the present work, a methanolic bark extract of T. arjuna was evaluated for CYP3A and CYP2D inhibition potential in rat liver microsomes (RLM). Further, the methanolic bark extract was fractionated successively using increasing polarity solvents starting with petroleum ether, chloroform, ethyl acetate and n‐butanol. The fractions so obtained were also evaluated for their CYP3A and CYP2D inhibition potential. Probe substrates testosterone and dextromethorphan were used for CYP3A and CYP2D respectively. The IC50 values for the methanolic extract and the fractions were found to be less than 50 μg/ml in RLM for both CYP3A and CYP2D isoenzymes. The most potent n‐butanol fraction was further fractionated with column chromatography to isolate the highest active constituent responsible for the activity. Fraction 4 of the n‐butanol extract was the most potent fraction with IC50 values of 5.64 ± 0.735 μg/ml and 16.63 ± 0.879 μg/ml for CYP3A and CYP2D in RLM, respectively. Therefore, in vitro data indicated that the Terminalia arjuna extract contains constituents that can potentially inhibit the CYP3A and CYP2D isoenzymes which may in turn lead to pharmacokinetic drug–herb interaction.
The Effect of Experience on Context‐dependent Decisions
Authors: Ert Eyal , Lejarraga Tomás 
Published: January 2018

AbstractDoes the well‐documented “decoy effect” emerge in decisions from experience among risky options? We conducted a series of experiments where participants made choices between gambles, and we varied whether participants learned about the options from description, experience, or both. Our results consistently showed no traces of the decoy effect when participants learned from experience. Even when participants read precise descriptions of the options, actually experiencing those options eliminated the decoy effect. Moreover, in decisions under risk (decisions from description), the decoy effect is less robust than previously thought. The decoy effect only emerged in an experimental design in which we used two decoys generating attraction for different options but did not emerge when only one decoy was used. Increasing the distance between the decoy and the target did not make the decoy effect emerge in decisions from experience but seemed to reduce the decoy effect in decisions from description. Overall, we identify two boundary conditions for the decoy effect in decisions under risk: First, it is not robust to situations that involve learning from experience; and second, the attraction of a single decoy may not be sufficient to observe a decoy effect. Copyright © 2018 John Wiley & Sons, Ltd.
Carbonbeton unter Druck
Authors: Bochmann Jakob , Curbach Manfred , Jesse Frank 
Published: January 2018

AbstractMit Carbonbeton wurde ein neuer Hochleistungswerkstoff für die verschiedensten Anwendungen entwickelt. Dabei konzentrierte sich die Forschung bisher überwiegend auf das Tragverhalten unter Zugbeanspruchung und die Entwicklung entsprechender Bemessungsmodelle für grundlegende Belastungsarten. Zur vollständigen und detaillierten Klärung des Tragverhaltens von Carbonbetonkonstruktionen ist es allerdings notwendig, das Verhalten unter Druckbeanspruchung zu kennen. Carbonbeton zeigt hier ein charakteristisches Tragverhalten, das sich von dem des Stahlbetons unterscheidet. Eine wesentliche Ursache dieser Unterschiede ist das Unvermögen der textilen Bewehrung, quer zur Längsrichtung der Fasern einen nennenswerten Tragwiderstand aufzubauen. Aus diesem Grund entsteht die Notwendigkeit, das Tragverhalten unter einaxialer Druckbeanspruchung detailliert zu untersuchen. Erste grundlegende Überlegungen und Ergebnisse zur Thematik wurden von den Autoren bereits veröffentlicht. Dieser Artikel soll die weiterführenden Forschungsarbeiten darstellen und dabei speziell auf den Einfluss von unterschiedlichen textilen Strukturen eingehen. Die Variation der Maschenweite, Garnstärke oder der Anordnung der Textilien steht dabei im Vordergrund. Diese experimentellen Untersuchungen tragen somit zu einem besseren Verständnis des Tragverhaltens von Carbonbeton bei, der einem Druckspannungsfeld ausgesetzt ist.
Effizientes BIM für die Planung von Infrastrukturmaßnahmen
Authors: Breitenberger Michael , Kreutz Johannes , Braml Thomas 
Published: January 2018

AbstractDas neue Konzept AgilesBIM2 wird vorgestellt. Dieses kann für die Umsetzung eines effizienten BIM‐Prozesses für den Brückenbau bzw. Ingenieurbau verwendet werden. Es ist äußerst flexibel und setzt vor allem auf Automatisierung der CAD‐Prozesse und ist sowohl für kleine als auch für sehr große und geometrisch komplexe (gekrümmte) Bauwerke geeignet. Das Konzept kann für die Organisation der BIM‐Ausführungsplanung verwendet werden. Erfolgreich angewandt wurde das Konzept in der Software Siemens NX, welche sich hinsichtlich der gestellten Anforderungen als äußert geeignet erweist. Der Artikel beschäftigt sich neben der Vorstellung des von der BiM CC GmbH entwickelten Konzepts mit der BIM‐Ausführungsplanung für den Brückenbau im Generellen, der Qualitätssicherung von BIM‐Modellen, geometrischen Toleranzen, Datenaustausch und der Verknüpfung zu statischen Gesamtmodellen für Brückenbauwerke. Getestet wurden das Konzept an mehreren BIM‐Ausführungsprojekten, unter anderem an der Talbrücke Pleichach, welche durch das Bauunternehmen Max Bögl realisiert wird.
Antiobesity molecular mechanisms of action: Resveratrol and pterostilbene
Authors: Pan Min‐Hsiung , Wu Jia‐Ching , Ho Chi‐Tang , Lai Ching‐Shu 
Published: January 2018

AbstractObesity is a current global epidemic that has led to a marked increase in metabolic diseases. However, its treatment remains a challenge. Obesity is a multifactorial disease, which involves the dysfunction of neuropeptides, hormones, and inflammatory adipokines from the brain, gut, and adipose tissue. An understanding of the mechanisms and signal interactions in the crosstalk between organs and tissue in the coordination of whole‐body energy metabolism would be helpful to provide therapeutic and putative approaches to the treatment and prevention of obesity and related complications. Resveratrol and pterostilbene are well‐known stilbenes that provide various potential benefits to human health. In particular, their potential anti‐obesity effects have been proven in numerous cell culture and animal studies. Both compounds act to regulate energy intake, adipocyte life cycle and function, white adipose tissue (WAT) inflammation, energy expenditure, and gut microbiota by targeting multiple molecules and signaling pathways as an intervention for obesity. Although the efficacy of both compounds in humans requires further investigation with respect to their oral bioavailability, promising scientific findings have highlighted their potential as candidates for the treatment of obesity and the improvement of obesity‐related metabolic diseases. © 2018 BioFactors, 44(1):50–60, 2018
Metabolism and pharmacokinetics of resveratrol and pterostilbene
Authors: Wang Pei , Sang Shengmin 
Published: January 2018

AbstractBeneficial properties of resveratrol and pterostilbene, a dimethyl ether analog of resveratrol, have attracted increasing interest in recent years. Resveratrol and pterostilbene exhibit many pharmacological similarities and both of them are generally considered to be safe for human consumption. Beyond the structural and general bioactivity similarities between them, large amounts of data are now available to reveal the metabolic fate and pharmacological differences between them. Pterostilbene was found to be more metabolically stable and usually exhibited stronger pharmacological activities than that of resveratrol. As a contribution to clarify and compare aspects like metabolic stability and pharmacokinetics of resveratrol and pterostilbene, as well as explain the pharmacological similarities and differences between them, this review presents and compares recent data on the metabolism and pharmacokinetics of resveratrol and pterostilbene. © 2018 BioFactors, 44(1):16–25, 2018
Tanshinone IIA induces cell death via Beclin‐1‐dependent autophagy in oral squamous cell carcinoma SCC‐9 cell line
Authors: Qiu Ye , Li Conghua , Wang Qinhua , Zeng Xingqi , Ji Ping 
Published: January 2018

AbstractTanshinone IIA (TAN) is one of the major functional compounds of Salvia miltiorrhiza Bunge and possesses the ability to suppress the growth of multiple cancer cell types via its apoptosis‐ and autophagy‐inducing functions. In this study, the effect of TAN therapy on the survival of oral squamous cell carcinoma (OSCC) was evaluated, and the underlying mechanism involved in the treatment was investigated. Human oral squamous cell carcinoma cell SCC‐9 was used for in vitro assays and induction in an OSCC xenograft mouse model. The tumor cells were subjected to TAN administration at different concentrations. Then the apoptosis and autophagy processes in SCC‐9 cells were evaluated and the activities of Beclin‐1/Atg7/Atg12‐Atg5 and PI3K/Akt/mTOR pathways were determined. In addition, by knocking down the expression of Beclin‐1 in SCC‐9 cells, the study also assessed the role of the indicator in the anti‐OSCC effect of TAN. Results of in vitro assays were further validated with an OSCC xenograft mouse model. Administration of TAN‐induced cell apoptosis and upregulated the expression of cleaved‐caspase‐3. Simultaneously, the autophagy process in SCC‐9 cells was initiated by TAN, which was signaled by the formation of autophagosomes and increase in the ratio of LC3 II/LC3I. The above processes were associated with the activation of Beclin‐1/Atg7/Atg12‐Atg5 signaling and inhibition of PI3K/Akt/mTOR signaling. Our results also inferred a partially Beclin‐1‐dependent mechanism of action of TAN in OSCC cells: knockdown of the Beclin‐1 blocked the effect of TAN on SCC‐9 cells both in vivo and in vitro. Our study provided a preliminary explanation of the mechanism involved in TAN effect: the agent exerted its autophagy‐inducing effect against OSCC in a multipronged manner, by both inducing the Beclin‐1/Atg7/Atg12‐Atg5 pathway and suppressing the PI3K/Akt/mTOR pathway.
Triplex modeling of the political messages consumer behavior in social networks
Authors: Sobhanifard Yaser , Sadatfarizani Seyedjavad 
Published: January 2018

AbstractPurposeThis paper explores a triplex model of the political messages consumer behavior in social networks, combining the use of Delphi method, exploratory factor analysis (EFA), and an artificial neural network (ANN).Design/methodology/approachThe study has 3 phases. In the first phase, the Delphi method is employed, and 24 motivations for the forwarding a political message with a social media are identified; these motivations are used to develop the model in the second phase. Finally, in the last phase, an ANN is used to rank the motivations to determine their priority.FindingsThe EFA model explored includes 5 factors that have a positive effect on the level of political messages forwarding with a social network. These are Public view, Performance of Party, Disclosure, Interests and Destruction. Results from the use of an ANN indicate that the main variables in political messages forwarding are showing the relative candidate commitment to ethics (Commitment to ethics) and showing the appropriate scientific level of the relative candidate (Appropriate scientific level). From the results of the EFA model, it is clear these 2 variables are components of the factor of the Public view.Practical implicationsPolitical marketer, politicians, and political analyst can use our findings and model to satisfy their political messages consumer' needs and enhance their vote market and electoral success. The public view in the political message gets a very important role in its forwarding. They should show in their political messages that the relative candidate has commitment to ethics and has appropriate scientific level. They must create more message with this studies priorities and avoid produce the low priority characteristics of message of this study.Originality/valueFor the first time, the main contribution of this study is to shed light on how political messages in social network is forwarded and how political messages consumers think about political messages in the social network?
Genotype‐dependent changes in the phenolic content of durum under water‐deficit stress
Authors: Liu Haipei , Bruce Dylan R. , Sissons Mike , Able Amanda J. , Able Jason A. 
Published: January 2018

Background and objectivesConsumption of whole grain cereal products, which are rich in phenolic acids, is associated with lower risk of degenerative diseases. Phenolics in plants are associated with abiotic stress adaptation due to their antioxidant activities. Free, bound, and total phenolics in the wholemeal flour of 50 durum wheat (Triticum turgidum L. ssp. durum) genotypes were examined, in addition to the water stress tolerance capacity of selected genotypes.FindingsThis study revealed significant variation, with wholemeal flour from “Purple Grain” having the highest total phenolic content (391.0 mg gallic acid equivalent per 100 g of dry weight [GAE/100 g DW]). Under water‐deficit stress, the stress‐tolerant genotype Tamaroi had higher total phenolic content in the leaf (2880.3 mg GAE/100 g DW) compared to stress‐sensitive genotypes EGA Bellaroi and Tjilkuri (2292.6 and 2450.1 mg GAE/100 g DW, respectively). In the mature grains, stress‐tolerant genotypes Tamaroi and Yawa had significantly higher total phenolic content under stress compared to the control, while no significant change was found in the stress‐sensitive genotypes EGA Bellaroi and Tjilkuri.ConclusionsResults suggest that phenolic content could be associated with water‐deficit stress tolerance.Significance and noveltySelected genotypes could now be used as parents for breeding varieties with increased phenolics and stress tolerance capacity.
Compliance assessment of US gluten‐free labeled oatmeal produced under a “Purity Protocol” indicates “Serving Level Compliance” not attained
Authors: Chen Yumin , Fritz Ronald D. , Ferrini Luara 
Published: January 2018

Oats are naturally gluten‐free, but are commonly contaminated with gluten‐containing kernels of wheat, barley, and rye. Gluten compliance (FDA, gluten <20 ppm) when managed at the serving level (40–50 g) is believed to provide the best protection to consumers. In this recent in‐market survey, a third‐party laboratory tested 166 servings of oatmeal manufactured with oats produced under a “Purity Protocol.” Results indicated gluten at noncompliant levels in five servings (spanning 20.4–229 ppm). This equates to a noncompliance rate of 1 in 33 servings. This new finding is comparable to a noncompliant rate of 1 in 57 servings uncovered by our previous in‐market survey, where the gluten‐free (GF) oatmeal was manufactured with oats produced by mechanical/optical cleaning. These new findings, substantiated by the previous ones, show that GF oats not managed for gluten compliance at the serving level may introduce an intermittent bolus of gluten to consumers with celiac disease.
Hydrogen Peroxide Production on a Carbon Nitride–Boron Nitride‐Reduced Graphene Oxide Hybrid Photocatalyst under Visible Light
Authors: Kofuji Yusuke , Isobe Yuki , Shiraishi Yasuhiro , Sakamoto Hirokatsu , Ichikawa Satoshi , Tanaka Shunsuke , Hirai Takayuki 
Published: January 2018

AbstractPhotocatalytic production of hydrogen peroxide (H2O2) from earth‐abundant water and O2 is a desirable artificial photosynthesis for solar fuel production. A metal‐free hybrid photocatalyst consisting of pyromellitic diimide‐doped carbon nitride (g‐C3N4/PDI), boron nitride (BN), and reduced graphene oxide (rGO) was prepared. The g‐C3N4/PDI‐BN‐rGO catalyst, when photoirradiated in water with O2 by visible light at room temperature, efficiently produces H2O2. The photoexcited g‐C3N4/PDI moiety transfers the conduction band electrons to rGO, leading to selective production of H2O2 via two‐electron reduction of O2 on the rGO surface. In contrast, the valence‐band holes photoformed on the g‐C3N4/PDI moieties are transferred to BN, leading to efficient oxidation of water. The electron–hole separation enhanced by the incorporation of rGO and BN significantly suppresses the charge recombination and exhibits high photocatalytic activity. The solar‐to‐chemical conversion (SCC) efficiency for H2O2 production on the hybrid catalyst is 0.27 %, which is higher than the highest efficiencies obtained by overall water splitting on powdered catalysts.
Asymmetric Synthesis of Chiral Halogenated Amines using Amine Transaminases
Authors: Dawood Ayad W. H. , de Souza Rodrigo O. M. A. , Bornscheuer Uwe T. 
Published: January 2018

AbstractAmine transaminases (ATAs) are versatile and industrially relevant biocatalysts that catalyze the transfer of an amine group from a donor to an acceptor molecule. Asymmetric synthesis from a prochiral ketone is the most preferred route to the desired amine product, as it is obtainable in a theoretical yield of 100 %. In addition to the requirement of active and enantioselective ATAs, the choice of a suitable amine donor is also important to save costs and to avoid additional enzymes to shift the equilibrium and/or to recycle the cofactors. In this work, we identified suitable (R)‐ and (S)‐ATAs from Aspergillus fumigatus and Silicibacter pomeroyi, respectively, to afford a set of halogen‐substituted derivatives of brominated or chlorinated 1‐phenyl‐2‐propanamine, 4‐phenylbutan‐2‐amine, and 1‐(3‐pyridinyl)ethanamine. Optimization of the donor–acceptor ratio enabled application of isopropylamine as an amine donor, which resulted in high conversions and amines with 73–99 % ee.
Air‐stable Ruthenium(II)‐NNN Pincer Complexes for the Efficient Coupling of Aromatic Diamines and Alcohols to 1H‐benzo[d]imidazoles with the Liberation of H2
Authors: Li Lin , Luo Qi , Cui Huahua , Li Renjie , Zhang Jing , Peng Tianyou 
Published: January 2018

AbstractTwo new phosphine‐free RuII‐NNN pincer complexes ([RuCl(L1)(CH3CN)2]Cl (1) and [RuCl(L2)(CH3CN)2]Cl (2) [L1=2,6‐bis(1H‐imidazole‐2‐yl)pyridine, L2=2,6‐bis(1‐hexyl‐1H‐imidazole‐2‐yl)pyridine] were synthesized to catalyze the condensation of benzyl alcohol and benzene‐1,2‐diamine homogeneously to 2‐pheny‐1H‐benzo[d]imidazole and H2. The reactivity in the order of 1>2 is lower than that of the phosphine‐containing RuII‐NNN pincer complex [RuCl2(L1)(PPh3)3] (3), and thus a homogeneous system that contained 1, 1 equivalent of 1,2‐bis(diphenylphosphanyl)ethane, and 10 equivalents of NaBPh4 was developed to improve the catalytic efficiency for the condensation of primary alcohols and benzene‐1,2‐diamine (or its derivatives) to 2‐substituted 1H‐benzo[d]imidazoles in excellent yields (up to 97 %) and turnover numbers (388). This system can be used to realize the facile one‐step synthesis of 1H‐benzo[d]imidazole derivatives from alcohols without the use of an oxidant and/or a stoichiometric amount of inorganic base that is usually necessary in homogeneous systems reported previously.
Modeling of Hansen's solubility parameters of aripiprazole, ziprasidone, and their impurities: A nonparametric comparison of models for prediction of drug absorption sites
Authors: Obradović Darija , Andrić Filip , Zlatović Mario , Agbaba Danica 
Published: January 2018

AbstractAripiprazole and ziprasidone are atypical antipsychotic drugs with the effect on positive and negative symptoms of schizophrenia, mania, and mixed states of bipolar disorder. Hansen's solubility parameters, δd, δp, and δh, which account for dispersive, polarizable, and hydrogen bonding contributions to the overall cohesive energy of a compound, are often used to assess pharmacokinetic properties of drugs. However, no data exist of solubility parameters for the drugs of interest in this study. Therefore, in the present study, partial least square regression (PLS), artificial neural networks (ANNs), regression trees (RT), boosted trees (BT), and random forests (RF) were applied to estimate Hansen's solubility parameters of ziprasidone, aripiprazole, and their impurities/metabolic derivatives, targeting their biopharmaceutical classes and absorption routes. A training set of 47 structurally diverse and pharmacologically active compounds and 290 molecular descriptors and pharmaceutically important properties were used to build the prediction models. The modeling approaches were compared by the sum of ranking differences, using the consensus values as a reference for the unknowns and the experimentally determined values as a gold standard for the calibration set. In both instances, the PLS models, together with ANNs, demonstrated better performance than RT, BT and especially RF. Based on the best scored models, we were able to pinpoint the most probable absorption sites for each drug and the corresponding metabolite, i.e., the upper parts of the gastrointestinal tract, small intestine, or absorption along entire length of gastrointestinal tract.
Generating Electricity from Water through Carbon Nanomaterials
Authors: Xu Yifan , Chen Peining , Peng Huisheng 
Published: January 2018

AbstractOver the past ten years, electricity generation from water in carbon‐based materials has aroused increasing interest. Water‐induced mechanical‐to‐electrical conversion has been discovered in carbon nanomaterials, including carbon nanotubes and graphene, through the interaction with flowing water as well as moisture. In this Concept article, we focus on the basic principles of electric energy harvesting from flowing water through carbon nanomaterials, and summarize the material modification and structural design of these nanogenerators. The current challenges and potential applications of power conversion with carbon nanomaterials are finally highlighted.
n‐butane partial oxidation in a fixed bed: A resolved particle computational fluid dynamics simulation
Authors: Partopour Behnam , Dixon Anthony G. 
Published: January 2018

AbstractMaleic anhydride (MA) is an important chemical intermediate, which is mainly produced by the highly exothermic partial oxidation of n‐butane in fixed bed reactors. Production of maleic anhydride is limited by problems of temperature control and loss of selectivity. Here we present three‐dimensional resolved‐particle computational fluid dynamics (CFD) simulations of n‐butane partial oxidation in a randomly packed bed of 807 spherical catalyst particles. We used a semi‐empirical two‐site surface mechanism from the literature and obtained distributions of temperature, gas phase species, and surface species in the bed. The local selectivity patterns are strongly controlled by the changes in the gas phase flow field, the temperature in the fixed bed, and the weakly adsorbed oxygen surface coverage fraction (λO) profiles inside the particles. Most of the selectivity loss due to product combustion happens in the interior of the catalyst particles, as opposed to the production of MA, which is mainly in the near‐surface layers. We observed loss of selectivity and yield in the centre of the bed at increased bed depths, because of the temperature increase and decrease in gas phase oxygen there. The simulations show sharp λO gradients inside the particles. Near the cooled tube wall λO is strongly affected by the temperature, while at the bed centre gas phase oxygen diffusion limitations contribute to a depleted oxygen surface resulting in lower selectivity.