bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of Rationally Halogenated Buckybowls by Chemoselective Aromatic C−F Bond Activation
Authors: Papaianina Olena , Akhmetov Vladimir A. , Goryunkov Alexey A. , Hampel Frank , Heinemann Frank W. , Amsharov Konstantin Y. 
Published: March 2017

AbstractHalogenated buckybowls or bowl‐shaped polycyclic aromatic hydrocarbons (BS‐PAHs) are key building blocks for the “bottom‐up” synthesis of various carbon‐based nanomaterials with outstanding potential in different fields of technology. The current state of the art provides quite a limited number of synthetic pathways to BS‐PAHs; moreover, none of these approaches show high selectivity and tolerance of functional groups. Herein we demonstrate an effective route to BS‐PAHs that includes directed intramolecular aryl–aryl coupling through C−F bond activation. The coupling conditions were found to be completely tolerant toward aromatic C−Br and C−Cl bonds, thus allowing the facile synthesis of rationally halogenated buckybowls with an unprecedented level of selectivity. This finding opens the way to functionalized BS‐PAH systems that cannot be obtained by alternative methods.
Photochromism and Dual‐Color Fluorescence in a Polyoxometalate–Benzospiropyran Molecular Switch
Authors: Parrot Arnaud , Bernard Aurélie , Jacquart Aurélie , Serapian Stefano Artin , Bo Carles , Derat Etienne , Oms Olivier , Dolbecq Anne , Proust Anna , Métivier Rémi , Mialane Pierre , Izzet Guillaume 
Published: March 2017

AbstractThe photophysical properties of a Keggin‐type polyoxometalate (POM) covalently bounded to a benzospiropyran (BSPR) unit have been investigated. These studies reveal that both closed and open forms are emissive with distinct spectral features (λem (closed form)=530 nm, λem (open form)=670 nm) and that the fluorescence of the BSPR unit of the hybrid is considerably enhanced compared to BSPR parent compounds. While the fluorescence excitation energy of the BSPR reference compounds (370 nm) is close to the intense absorption responsible of the photochromic character (350 nm), the fluorescence excitation of the hybrid is shifted to lower energy (400 nm), improving the population of the emissive state. Combined NOESY NMR and theoretical calculations of the closed form of the hybrid give an intimate understanding of the conformation adopted by the hybrid and show that the nitroaryl moieties of the BSPR is folded toward the POM, which should affect the electronic properties of the BSPR.
A recyclable β‐cyclodextrins‐based supramolecular adsorbent for removal of organic dyes
Authors: Hao Rui , Zhu Yu , Wang Xiaoyu , Chen Li 
Published: March 2017

ABSTRACTIn this article, a novel recyclable β‐cyclodextrins (β‐CDs)‐based supramolecular adsorbent had been fabricated. With Fe3O4 magnetic nanoparticles as core, the adsorbent could be separated from water conveniently. Moreover, the hydrophobic β‐CDs caving had strong host‐guest interaction with organic compounds to form complexes. With the pH value changing, the stable complexes would disassemble to recover the adsorbent. Fourier transform infrared analysis, X‐ray diffraction measurement, transmission electron microscopy measurements, thermogravimetric analysis, and vibrating sample magnetometer analysis had been explored to confirm the structure and properties of supramolecular adsorbent. Congo red and Rhodamine B were used to characterize the adsorption capacity of adsorbent. By changing the parameters such as temperature, time, adsorbent dosage, and pH value indicated that the designed adsorbent could rapidly remove organic dyes from water with satisfactory removal effects and adsorbent recycling capacity. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45084.
Surface modification of textile material through deposition of regenerated silk fibroin
Authors: Ngo Ha‐Thanh , Bechtold Thomas 
Published: March 2017

ABSTRACTRegeneration of silk fibroin from calcium chloride/ethanol/water solution is of high interest to shape biomaterial based products for medical and technical application. In this study a continuous process for surface modification of cellulose or polyamide fibers by regenerated fibroin deposits has been investigated. The decomposition of the fibroin‐calcium complex was initiated by addition of K2CO3 followed by a methanol rinse. Reactive Blue 19 labeled fibroin was used to monitor the deposition of fibroin on the substrates by colour measurement. The fibroin deposits on the fabric were characterized by microscopy, N‐content, calcium, and protein content. Stiffness and surface resistivity of modified fabrics were determined as representative physical parameters. The reduced mobility of fibers increased fabric stiffness. Surface resistivity of treated samples was reduced by a factor of 10 to 100, which gives an example for the potential of the technique as coating for man‐made fiber textiles. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45098.
Retracted:Effects of miR‐145‐5p throughNRASon the cell proliferation, apoptosis, migration, and invasion in melanoma by inhibitingMAPKandPI3K/AKTpathways
Authors: Liu Sha , Gao Guozhen , Yan Dexiong , Chen Xiangjun , Yao Xingwei , Guo Shuzhong , Li Guirong , Zhao Yu 
Published: March 2017

AbstractWe aimed to detect the effects of miR‐145‐5p on the cell proliferation, apoptosis, migration, and invasion inNRAS‐mutant,BRAF‐mutant, and wild‐type melanoma cells, in order to figure out the potential mechanisms and provide a novel therapeutic target of melanoma.RT‐qPCRand western blot were used to detect the expression of miR‐145‐5p andNRASin melanoma tumor tissues and cells, respectively. Luciferase assay was performed to determine whether miR‐145‐5p directly targetedNRAS. After transfecting miR‐145‐5p mimics, miR‐145‐5p inhibitors, NRAS cDNA and NRAS siRNA into CHL‐1, VMM917 and SK‐mel‐28 cells, functional assays were used to detect the proliferation, apoptosis, invasion and migration, including MTT, flow cytometry, Transwell and wound healing assays. In addition, xenograft models in nude mice were also conducted to verify the role of miR‐145‐5p in vivo. MiR‐145‐5p was able to suppress proliferation, invasion, and migration ofVMM917 andCHL‐1 cells and induce apoptosis by inhibitingMAPKandPI3K/AKTpathways. However, aberrant expression of miR‐145‐5p andNRAShas little impact on the viability and metastasis ofBRAF‐mutant melanoma. The higher expression of miR‐145‐5p in xenograft models repressed theVMM917‐induced andCHL‐1‐induced tumor growth observably and has little effect onSK‐mel‐28‐induced tumor growth which was consistent with the results in vitro. Through targetingNRAS, miR‐145‐5p could suppress cell proliferation, invasion, and migration and induce apoptosis ofCHL‐1 andVMM917 melanoma cells by inhibitingMAPKandPI3K/AKTpathways.
Antitumor activity of chLpMab‐2, a human–mouse chimeric cancer‐specific antihuman podoplanin antibody, via antibody‐dependent cellular cytotoxicity
Authors: Kaneko Mika K. , Yamada Shinji , Nakamura Takuro , Abe Shinji , Nishioka Yasuhiko , Kunita Akiko , Fukayama Masashi , Fujii Yuki , Ogasawara Satoshi , Kato Yukinari 
Published: March 2017

AbstractHuman podoplanin (hPDPN), a platelet aggregation‐inducing transmembrane glycoprotein, is expressed in different types of tumors, and it binds to C‐type lectin‐like receptor 2 (CLEC‐2). The overexpression of hPDPN is involved in invasion and metastasis. Anti‐hPDPN monoclonal antibodies (mAbs) such as NZ‐1 have shown antitumor and antimetastatic activities by binding to the platelet aggregation‐stimulating (PLAG) domain of hPDPN. Recently, we developed a novel mouse anti‐hPDPN mAb, LpMab‐2, using the cancer‐specific mAb (CasMab) technology. In this study we developed chLpMab‐2, a human–mouse chimeric anti‐hPDPN antibody, derived from LpMab‐2. chLpMab‐2 was produced using fucosyltransferase 8‐knockout (KO) Chinese hamster ovary (CHO)‐S cell lines. By flow cytometry, chLpMab‐2 reacted with hPDPN‐expressing cancer cell lines including glioblastomas, mesotheliomas, and lung cancers. However, it showed low reaction with normal cell lines such as lymphatic endothelial and renal epithelial cells. Moreover, chLpMab‐2 exhibited high antibody‐dependent cellular cytotoxicity (ADCC) against PDPN‐expressing cells, despite its low complement‐dependent cytotoxicity. Furthermore, treatment with chLpMab‐2 abolished tumor growth in xenograft models of CHO/hPDPN, indicating that chLpMab‐2 suppressed tumor development via ADCC. In conclusion, chLpMab‐2 could be useful as a novel antibody‐based therapy against hPDPN‐expressing tumors.
Antiplatelet therapy in acute coronary syndrome
Authors: Brown A. J. M. , Austin D. 
Published: March 2017

AbstractAntiplatelet therapy is an essential component in the treatment of acute coronary syndromes (ACS). ACS management has evolved significantly over recent years with new antiplatelet agents with distinct pharmacological properties that offer a faster onset of action and greater potency. Prospective randomized controlled trials have not only focused on reducing ischemic events, but also on complications. There is a tipping point with safety/efficacy, beyond which bleeding risk can outweigh any anti‐ischemic benefit. This tipping point is not fixed and estimating its position for an individual patient remains a major challenge and is critically influenced by a multitude of factors including age and comorbidity. The European Society of Cardiology (ESC) guidelines provide important direction to the trainee and practicing cardiologist. This article outlines development in antiplatelet therapy focusing on mechanism of action, the evolution in the evidence‐base, clinical indications, and clinical controversies.Answer questions and earn CME: https://wileyhealthlearning.com/Activity2/5222689/Activity.aspx
Ventricular arrhythmias in acute coronary syndromes—mechanisms and management
Authors: Thomas D. E. , Jex N. , Thornley A. R. 
Published: March 2017

AbstractVentricular arrhythmias occur commonly following myocardial infarction and carry important prognostic implications. The mechanisms involved are varied and time‐dependent, changing with the evolution of the infarct, and this has implications for the management of both the arrhythmia and the index ischemic insult, which are discussed in this article. Current evidence‐based best practice and management guidelines are reviewed, and consideration is given to some of the unique challenges that managing this group of patients brings.Answer questions and earn CME: https://wileyhealthlearning.com/Activity2/5222694/Activity.aspx
Nitrogen‐Doped Carbon‐Encapsulated Nickel/Cobalt Nanoparticle Catalysts for Olefin Migration in Allylarenes
Authors: Kramer Søren , Mielby Jerrik , Buss Kasper , Kasama Takeshi , Kegnæs Søren 
Published: March 2017

AbstractOlefin migration in allylarenes is typically performed with precious‐metal‐based homogeneous catalysts. In contrast, very limited progress has been made with the use of cheap, Earth‐abundant base metals as heterogeneous catalysts for these transformations—in spite of the obvious economic and environmental advantages. Herein, we report on the use of an easily prepared heterogeneous catalyst material for the migration of olefins, in particular, for allylarenes. The catalyst material consists of nickel/cobalt alloy nanoparticles encapsulated in nitrogen‐doped carbon shells. The encapsulated nanoparticles are stable in air and are easily collected by centrifugation, filtration, or magnetic separation. Furthermore, we demonstrate that the catalysts can be reused several times and provide continuously high yields of the olefin‐migration product.
Core–Shell‐Structured NiS2@Ni‐Bi Nanoarray for Efficient Water Oxidation at Near‐Neutral pH
Authors: Ma Xiao , Ma Min , Liu Danni , Hao Shuai , Qu Fengli , Du Gu , Asiri Abdullah M. , Sun Xuping 
Published: March 2017

AbstractThe development of high‐performance and cost‐effective water oxidation catalysts operating under mild conditions is attractive for the conversion of electricity into chemical fuels. In this communication, we report the in situ electrochemical development of a Ni‐Bi layer (5–8 nm thick) on a NiS2 nanoarray supported on carbon cloth (i.e., NiS2@Ni‐Bi/CC) for efficient water oxidation in 0.1 m potassium borate electrolyte at pH 9.2. As a durable 3 D catalyst electrode, core–shell‐structured NiS2@Ni‐Bi/CC shows excellent catalytic activity for water oxidation and approaches a geometrical catalytic current density of 20 mA cm−2 at an overpotential of 486 mV, with long‐term electrochemical stability for at least 24 h with a high turnover frequency of 0.28 mol O2 s−1 at an overpotential of 500 mV and nearly 100 % Faradic efficiency for oxygen evolution.
Motivational focus of international entrepreneurs in Spain: From early explorers to straggler exploiters
Authors: Santos‐Álvarez Valle , García‐Merino Teresa 
Published: March 2017

AbstractWe analyze the motivation of entrepreneurs who lead business internationalization. We study how motivation affects the entry timing into overseas markets as well as the selection of markets. We use the regulatory focus theory that recognizes two orientations: promotion versus prevention. Then, we define a typology of entrepreneurs: early explorer, straggler exploiter, early exploiter, and straggler explorer. We review interviews published in a Spanish journal centred on internationalization and perform a content analysis that allows us to identify the motivation of entrepreneurs. Results indicate that promotion focus is the most common and that experiential knowledge emerges as a key factor in the shift in motivation governing the selection of overseas markets. Copyright © 2017 ASAC. Published by John Wiley & Sons, Ltd.
Rationale and design of a multicenter, international and collaborative Coronary Artery Aneurysm Registry (CAAR)
Authors: Núñez‐Gil Iván J. , Nombela‐Franco Luis , Bagur Rodrigo , Bollati Mario , Cerrato Enrico , Alfonso Emilio , Liebetrau Christoph , De la Torre Hernandez José María , Camacho Benjamín , Mila Rafael , Amat‐Santos Ignacio J. , Alfonso Fernando , Rodríguez‐Olivares Ramón , Camacho Freire Santiago J. , Lozano Íñigo , Jiménez Díaz Víctor Alfonso , Piraino Davide , Latini Roberto Adriano , Feltes Gisela , Linares Jose Antonio , Mancone Massimo , Ielasi Alfonso , Sánchez‐Grande Flecha Alejandro , Fernández Cisnal Agustín , Ugo Fabrizio , Jiménez Mazuecos Jesús M. , Omedè Pierluigi , Pavani Marco , Villablanca Pedro A. , Louka Boshra F. , Fernández‐Ortiz Antonio ,   on behalf of the CAAR Investigators
Published: March 2017

Coronary artery aneurysm is defined as a coronary dilation that exceeds the diameter of adjacent segments or the diameter of the patient's largest normal coronary vessel by 1.5×. It is an uncommon disease that has been diagnosed with increasing frequency since the widespread appearance of coronary angiography. The published incidence varies from 1.5% to 5%, suggesting male dominance and a predilection for the right coronary artery. Although several causes have been described, atherosclerosis accounts for ≥50% of coronary aneurysms in adults. Reported complications include thrombosis and distal embolization, rupture, and vasospasm, causing ischemia, heart failure, or arrhythmias. The natural history and prognosis remain unknown, as definitive data are scarce. Controversies persist regarding the use of medical management (antithrombotic therapy) or interventional/surgical procedures. Only some case reports or small case series are available about this condition. The Coronary Artery Aneurysm Registry (CAAR; http://www.ClinicalTrials.gov NCT02563626) is a multicenter international ambispective registry that aims to provide insights on anatomic, epidemiologic, and clinical aspects of this substantially unknown entity. In addition, the registry will assess management strategies (conservative, interventional, or surgical) and their short‐ and long‐term results in a large cohort of patients.Clinical Trial registration: ClinicalTrials.gov. Unique identifier: NCT02563626.
Molecular Features of the YAP Inhibitor Verteporfin: Synthesis of Hexasubstituted Dipyrrins as Potential Inhibitors of YAP/TAZ, the Downstream Effectors of the Hippo Pathway
Authors: Gibault Floriane , Bailly Fabrice , Corvaisier Matthieu , Coevoet Mathilde , Huet Guillemette , Melnyk Patricia , Cotelle Philippe 
Published: March 2017

AbstractPorphyrin derivatives, in particular verteporfin (VP), a photosensitizer initially designed for cancer therapy, have been identified as inhibitors of the YAP–TEAD interaction and transcriptional activity. Herein we report the efficient convergent synthesis of the dipyrrin half of protoporphyrin IX dimethyl ester (PPIX‐DME), in which the sensitive vinyl group was created at the final stage by a dehydroiodination reaction. Two other dipyrrin derivatives were synthesized, including dipyrrin 19 [(Z)‐2‐((3,5‐dimethyl‐4‐vinyl‐2H‐pyrrol‐2‐ylidene)methyl)‐3,5‐dimethyl‐4‐vinyl‐1H‐pyrrole], containing two vinyl groups. We found that VP and dipyrrin 19 showed significant inhibitory effects on TEAD transcriptional activity in MDA‐MB‐231 human breast cancer cells, whereas other compounds did not show significant changes. In addition, we observed a marked decrease in both YAP and TAZ levels following VP treatment, whereas dipyrrin 19 treatment primarily decreased the levels of YAP and receptor kinase AXL, a downstream target of YAP. Together, our data suggest that, due to their chemical structures, porphyrin‐ and dipyrrin‐related derivatives can directly target YAP and/or TAZ proteins and inhibit TEAD transcriptional activity.
An Improved Model of the Trypanosoma brucei CTP Synthetase Glutaminase Domain–Acivicin Complex
Authors: Oliveira de Souza Juliana , Dawson Alice , Hunter William N. 
Published: March 2017

AbstractThe natural product acivicin inhibits the glutaminase activity of cytidine triphosphate (CTP) synthetase and is a potent lead compound for drug discovery in the area of neglected tropical diseases, specifically trypanosomaisis. A 2.1‐Å‐resolution crystal structure of the acivicin adduct with the glutaminase domain from Trypanosoma brucei CTP synthetase has been deposited in the RCSB Protein Data Bank (PDB) and provides a template for structure‐based approaches to design new inhibitors. However, our assessment of that data identified deficiencies in the model. We now report an improved and corrected inhibitor structure with changes to the chirality at one position, the orientation and covalent structure of the isoxazoline moiety, and the location of a chloride ion in an oxyanion binding site that is exploited during catalysis. The model is now in agreement with established chemical principles and allows an accurate description of molecular recognition of the ligand and the mode of binding in a potentially valuable drug target.
Bayesian sensitivity analysis of a 1D vascular model with Gaussian process emulators
Authors: Melis Alessandro , Clayton Richard H. , Marzo Alberto 
Published: March 2017

AbstractOne‐dimensional models of the cardiovascular system can capture the physics of pulse waves but involve many parameters. Since these may vary among individuals, patient‐specific models are difficult to construct. Sensitivity analysis can be used to rank model parameters by their effect on outputs and to quantify how uncertainty in parameters influences output uncertainty. This type of analysis is often conducted with a Monte Carlo method, where large numbers of model runs are used to assess input‐output relations. The aim of this study was to demonstrate the computational efficiency of variance‐based sensitivity analysis of 1D vascular models using Gaussian process emulators, compared to a standard Monte Carlo approach. The methodology was tested on four vascular networks of increasing complexity to analyse its scalability. The computational time needed to perform the sensitivity analysis with an emulator was reduced by the 99.96% compared to a Monte Carlo approach. Despite the reduced computational time, sensitivity indices obtained using the two approaches were comparable. The scalability study showed that the number of mechanistic simulations needed to train a Gaussian process for sensitivity analysis was of the order
, rather than
needed for Monte Carlo analysis (where d is the number of parameters in the model). The efficiency of this approach, combined with capacity to estimate the impact of uncertain parameters on model outputs, will enable development of patient‐specific models of the vascular system, and has the potential to produce results with clinical relevance.
Determination of Conduction and Valence Band Electronic Structure of LaTiOxNyThin Film
Authors: Pichler Markus , Szlachetko Jakub , Castelli Ivano E. , Marzari Nicola , Döbeli Max , Wokaun Alexander , Pergolesi Daniele , Lippert Thomas 
Published: March 2017

AbstractThe nitrogen substitution into the oxygen sites of several oxide materials leads to a reduction of the band gap to the visible‐light energy range, which makes these oxynitride semiconductors potential photocatalysts for efficient solar water splitting. Oxynitrides typically show a different crystal structure compared to the pristine oxide material. As the band gap is correlated to both the chemical composition and the crystal structure, it is not trivial to distinguish which modifications of the electronic structure induced by the nitrogen substitution are related to compositional and/or structural effects. Here, X‐ray emission and absorption spectroscopy are used to investigate the electronic structures of orthorhombic perovskite LaTiOxNythin films in comparison with films of the pristine oxide LaTiOxwith similar orthorhombic structure and cationic oxidation state. Experiment and theory show the expected upward shift in energy of the valence band maximum that reduces the band gap as a consequence of the nitrogen incorporation. This study also shows that the conduction band minimum, typically considered almost unaffected by nitrogen substitution, undergoes a significant downward shift in energy. For a rational design of oxynitride photocatalysts, the observed changes of both the unoccupied and occupied electronic states have to be taken into account to justify the total band‐gap narrowing induced by the nitrogen incorporation.
Electrochemistry for the Generation of Renewable Chemicals: One‐Pot Electrochemical Deoxygenation of Xylose to δ‐Valerolactone
Authors: James Olusola O. , Sauter Waldemer , Schröder Uwe 
Published: March 2017

AbstractIn this study, the electrochemical conversion of xylose to δ‐valerolactone via carbonyl intermediates is demonstrated. The conversion was achieved in aqueous media and at ambient conditions. This study also demonstrates that the feedstock for production of renewable chemicals and biofuels through electrochemistry can be extended to primary carbohydrate molecules. This is the first report on a one‐pot electrochemical deoxygenation of xylose to δ‐valerolactone.