bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nitrogen‐Doped Hierarchical Porous Carbon Framework Derived from Waste Pig Nails for High‐Performance Supercapacitors
Authors: Zhou Yibei , Ren Juan , Xia Li , Wu Huali , Xie Fengyu , Zheng Qiaoji , Xu Chenggang , Lin Dunmin 
Published: September 2017

AbstractIn situ nitrogen‐doped hierarchical porous carbon was synthesized by using waste protein‐rich pig nails as precursors in a facile KOH activation method. The microstructure and electrochemical characteristics of the materials were investigated by tuning the amount of KOH. When the weight ratio of KOH to pig nails is 1 : 1, the obtained nitrogen‐doped hierarchical porous carbon (NHPC‐1) exhibits the largest specific surface area (2569 m2 g−1) with interconnected porous network structure, which are beneficial to ion/electron storage and transfer. In addition, abundant nitrogen of 2.8 at % in the NHPC‐1 also contributes to the high electrochemical activity of the supercapacitor during the charging/discharging process. As a result, the NHPC‐1 electrode in the supercapacitor exhibits a high specific capacitance of 231 F g−1 at 1 A g−1 and superior retention of 98 % after 5000 cycles at 1 A g−1 in 6 M KOH electrolyte. Additionally, the assembled symmetric device based on NHPC‐1 exhibits a high energy density of 7 Wh kg−1 at a power density of 500 W kg−1. Our study suggests that waste pig nails can act as low‐cost and renewable carbon precursors for high performance supercapacitor.
Effect of the ortho‐Hydroxyl Groups on a Bipyridine Ligand of Iridium Complexes for the High‐Pressure Gas Generation from the Catalytic Decomposition of Formic Acid
Authors: Iguchi Masayuki , Zhong Heng , Himeda Yuichiro , Kawanami Hajime 
Published: September 2017

AbstractThe hydroxyl groups of a 2,2′‐bipyridine (bpy) ligand near the metal center activated the catalytic performance of the Ir complex for the dehydrogenation of formic acid at high pressure. The position of the hydroxyl groups on the ligand affected the catalytic durability for the high‐pressure H2 generation through the decomposition of formic acid. The Ir complex with a bipyridine ligand functionalized with para‐hydroxyl groups shows a good durability with a constant catalytic activity during the reaction even under high‐pressure conditions, whereas deactivation was observed for an Ir complex with a bipyridine ligand with ortho‐hydroxyl groups (2). In the presence of high‐pressure H2, complex 2 decomposed into the ligand and an Ir trihydride complex through the isomerization of the bpy ligand. This work provides the development of a durable catalyst for the high‐pressure H2 production from formic acid.
Near‐Infrared‐Absorbing Organometallic Diruthenium Complex Intermediates: Evidence for Bridging Anthrasemiquinone Formation and against Mixed Valency
Authors: Kamatchi Thangavel Sathiya , Mondal Sudipta , Scherer Thomas , Bubrin Martina , Natarajan Karuppannan , Kaim Wolfgang 
Published: September 2017

AbstractThe new redox‐active complexes [RuH(CO)(EPh3)2(μ‐Q2−)RuH(CO)(EPh3)2], E=P (1) and E=As (2) with the bis‐chelate bridging ligand Q2−=1,4‐dioxido‐9,10‐anthraquinone were prepared and characterised. The related compound [RuCl(CO)(PPh3)2(μ‐Qx2−)RuCl(CO)(PPh3)2] (4) with E=P and Qx2−=5,8‐dioxido‐1,4‐naphthoquinone 4 revealed trans‐positioned PPh3 groups. The electrogenerated one‐electron oxidised states 1+ and 2+ were examined using spectroelectrochemical techniques (EPR, IR and UV/Vis/NIR). In situ EPR studies gave spectra with 31P or 75As hyperfine splitting of about 16 Gauss, small 99, 101Ru coupling and small g‐anisotropy in the frozen solution state. The 31P and 75As hyperfine values reflect axial positioning of the four Ru−E bonds relative to the plane of an anthrasemiquinone bridge. Single CO stretching bands around 1910 cm−1 of the precursors 1 and 2 shift by about 25 cm−1 to higher energies on oxidation. The direction, uniformity and the extent of the shifts confirm ligand bridge‐based oxidation. Absorbance by the cations in the near infrared region is thus assigned to intra‐ligand transitions of ruthenium(II)‐bonded anthrasemiquinones and not to intervalence charge transfer of mixed‐valent species. Ruthenium(II) stabilisation by CO and EPh3 is made responsible for the anthrasemiquinone formation instead of metal‐centered oxidation.
Catalytic Asymmetric Direct Vinylogous Aldol Reaction of Isatins with β,γ‐Unsaturated Butenolides
Authors: Tang Qiong , Lin Lili , Ji Jie , Hu Haipeng , Liu Xiaohua , Feng Xiaoming 
Published: September 2017

AbstractA direct asymmetric vinylogous aldol reaction of nonactivated natural α‐angelica lactone to isatins has been developed. With a N,N′‐dioxide‐Sc(OTf)3 complex as catalyst, a variety of δ‐hydroxy butenolides bearing congested adjacent tetrasubstituted stereocenters were obtained in good yields with high diastereoselectivities and excellent enantioselectivities. Besides, a possible transition state was proposed to explain the origin of the asymmetric induction.
Integrative Self‐Sorting of Bipyridinium/Diazapyrenium‐Based Ligands into Pseudo[1]rotaxanes
Authors: Rama Tamara , Blanco‐Gómez Arturo , Neira Iago , Domarco Olaya , García Marcos D. , Quintela José M. , Peinador Carlos 
Published: September 2017

AbstractWe present here the design and synthesis of a series of multicomponent supramolecular architectures, structures formed by the PdII/PtII‐directed integrative social self‐sorting in aqueous media of pairs of complementary N‐monoalkyl‐4,4′‐bipyridinium/2,7‐diazapyrenium‐based ligands. Out of the different potential outcomes of the processes, we have found out how the designed systems selectively enhance the production of pseudo[1]rotaxanes, hermaphroditic host–guest aggregates that maximize the strength of the occurring π–π, C−H⋅⋅⋅π, and hydrophobic interactions, as well as the number of those interactions per receptor. It is also demonstrated how both integrative social and narcissistic PdII‐directed self‐sorting can occur orthogonally and concomitantly for this type of ditopic ligands.
Mimicking Intermolecular Interactions of Tight Protein–Protein Complexes for Small‐Molecule Antagonists
Authors: Xu David , Bum‐Erdene Khuchtumur , Si Yubing , Zhou Donghui , Ghozayel Mona K. , Meroueh Samy O. 
Published: September 2017

AbstractTight protein–protein interactions (Kd<100 nm) that occur over a large binding interface (>1000 Å2) are highly challenging to disrupt with small molecules. Historically, the design of small molecules to inhibit protein–protein interactions has focused on mimicking the position of interface protein ligand side chains. Here, we explore mimicry of the pairwise intermolecular interactions of the native protein ligand with residues of the protein receptor to enrich commercial libraries for small‐molecule inhibitors of tight protein–protein interactions. We use the high‐affinity interaction (Kd=1 nm) between the urokinase receptor (uPAR) and its ligand urokinase (uPA) to test our methods. We introduce three methods for rank‐ordering small molecules docked to uPAR: 1) a new fingerprint approach that represents uPA′s pairwise interaction energies with uPAR residues; 2) a pharmacophore approach to identify small molecules that mimic the position of uPA interface residues; and 3) a combined fingerprint and pharmacophore approach. Our work led to small molecules with novel chemotypes that inhibited a tight uPAR⋅uPA protein–protein interaction with single‐digit micromolar IC50 values. We also report the extensive work that identified several of the hits as either lacking stability, thiol reactive, or redox active. This work suggests that mimicking the binding profile of the native ligand and the position of interface residues can be an effective strategy to enrich commercial libraries for small‐molecule inhibitors of tight protein–protein interactions.
Comparison of the toxicity profile of PD‐1 versus PD‐L1 inhibitors in non–small cell lung cancer: A systematic analysis of the literature
Authors: Pillai Rathi N. , Behera Madhusmita , Owonikoko Taofeek K. , Kamphorst Alice O. , Pakkala Suchita , Belani Chandra P. , Khuri Fadlo R. , Ahmed Rafi , Ramalingam Suresh S. 
Published: September 2017

BACKGROUNDMonoclonal antibodies against programmed cell death protein 1 (PD‐1) and programmed death ligand 1 (PD‐L1) are effective therapies in patients with non‐small cell lung cancer (NSCLC). Herein, the authors performed a systematic review investigating differences in the toxicities of PD‐1 and PD‐L1 inhibitors.METHODSAn electronic literature search was performed of public databases (MEDLINE, Excerpta Medica dataBASE [EMBASE], and Cochrane) and conference proceedings for trials using PD‐1 inhibitors (nivolumab and pembrolizumab) and PD‐L1 inhibitors (atezolizumab, durvalumab, and avelumab) in patients with NSCLC. A formal systematic analysis was conducted with Comprehensive Meta‐Analysis software (version 2.2). Clinical and demographic characteristics, response, and toxicity data were compared between both groups.RESULTSA total of 23 studies reported between 2013 and 2016 were eligible for analysis. The total number of patients evaluated for toxicities was 3284 patients in the PD‐1 group and 2460 patients in the PD‐L1 group. The baseline patient characteristics of the 2 groups were similar, although there was a trend toward increased squamous histology in the group treated with PD‐L1 (32% vs 25%; P = .6). There was no difference in response rate noted between PD‐1 (19%) and PD‐L1 (18.6%) inhibitors (P = .17). The incidence of overall adverse events (AEs) was comparable between the PD‐1 and PD‐L1 inhibitors (64% [95% confidence interval (95% CI), 63%‐66%] vs 66% [95% CI, 65%‐69%]; P = .8). Fatigue was the most frequently reported AE with both classes of drugs. Patients treated with PD‐1 inhibitors were found to have a slightly increased rate of immune‐related AEs (16% [95% CI, 14%‐17%] vs 11% [95% CI, 10%‐13%]; P = .07) and pneumonitis (4% [95% CI, 3%‐5%] vs 2% [95% CI, 1%‐3%]; P = .01) compared with patients who received PD‐L1 inhibitors.CONCLUSIONSIn this systematic review involving 5744 patients with NSCLC, the toxicity and efficacy profiles of PD‐1 and PD‐L1 inhibitors appear to be similar. Cancer 2018;124:271‐7. © 2017 American Cancer Society.
Phase 1, Randomized, Double‐Blind, Placebo‐Controlled Studies on the Safety, Tolerability, and Pharmacokinetics of Naldemedine in Healthy Volunteers
Authors: Fukumura Kazuya , Yokota Takaaki , Baba Yuko , Arjona Ferreira Juan Camilo 
Published: September 2017

AbstractNaldemedine (S‐297995) is a peripherally acting μ‐opioid receptor antagonist for the treatment of opioid‐induced constipation, a common side effect of opioid therapy. We determined the safety, tolerability, and pharmacokinetic profiles of oral naldemedine in healthy volunteers in 2 randomized, double‐blind, placebo‐controlled, phase 1 studies. In the single ascending dose study, subjects received a single dose of naldemedine (0.1‐100 mg; n = 42) or placebo (n = 14). In the multiple ascending dose study, subjects received once‐daily naldemedine (3‐30 mg; n = 27) or placebo (n = 9) for 10 days. On day 1 of the single ascending dose studies and day 10 of the multiple ascending dose studies, respectively, the maximum plasma concentration levels of naldemedine were 1.98 to 2510 ng/mL and 73.8 to 700 ng/mL, peaked at 0.5 hours and 0.5 to 0.75 hours, and the fraction excreted in urine was 15.9% to 20.5% and 19.7% to 19.1%. There were no major safety or tolerability concerns even at naldemedine doses 150 to 500 times the therapeutic dose of 0.2 mg. The incidence of adverse events was not dose dependent. Gastrointestinal adverse events occurred more frequently with naldemedine vs placebo, and all of these were considered treatment related. Overall, naldemedine was rapidly absorbed, and no safety or tolerability issues were noted at the doses evaluated.
Flow‐Pattern Characterization of Biphasic Electrochemical Cells by Magnetic Resonance Imaging under Forced Hydrodynamic Conditions
Authors: Serial María R. , Velasco Manuel I. , Silletta Emilia V. , Zanotto Franco M. , Dassie Sergio A. , Acosta Rodolfo H. 
Published: September 2017

AbstractThe fluid dynamics of a liquid|liquid system inside a four‐electrode electrochemical cell were studied by velocimetry magnetic resonance imaging (MRI) and flow propagator measurements. To characterize this system fully, three different cell configurations operating at two rotational frequencies were analyzed. Quantitative information about the stability of the liquid|liquid interface and the dynamics of the organic phase were determined. The NMR spectroscopy results were in agreement with the electrochemical measurements performed by using the same experimental setup.
N‐Heterocyclic Carbene Self‐assembled Monolayers on Copper and Gold: Dramatic Effect of Wingtip Groups on Binding, Orientation and Assembly
Authors: Larrea Christian R. , Baddeley Christopher J. , Narouz Mina R. , Mosey Nicholas J. , Horton J. Hugh , Crudden Cathleen M. 
Published: September 2017

AbstractSelf‐assembled monolayers of N‐heterocyclic carbenes (NHCs) on copper are reported. The monolayer structure is highly dependent on the N,N‐substituents on the NHC. On both Cu(111) and Au(111), bulky isopropyl substituents force the NHC to bind perpendicular to the metal surface while methyl‐ or ethyl‐substituted NHCs lie flat. Temperature‐programmed desorption studies show that the NHC binds to Cu(111) with a desorption energy of Edes=152±10 kJ mol−1. NHCs that bind upright desorb cleanly, while flat‐lying NHCs decompose leaving adsorbed organic residues. Scanning tunneling microscopy of methylated NHCs reveals arrays of covalently linked dimers which transform into adsorbed (NHC)2Cu species by extraction of a copper atom from the surface after annealing.
Effectiveness of CSR Advertising: The Role of Reputation, Consumer Attributions, and Emotions
Authors: del Mar García‐De los Salmones María , Perez Andrea 
Published: September 2017

AbstractDespite companies' wishes to publicise their corporate social responsibility (CSR) activities, communication remains a challenge. This research study tries to contribute to the literature, analysing the antecedents and consequences of attitude towards a CSR advertisement in the financial sector. Specifically, we designed a causal model, which included the prior ethical reputation, the range of possible attributions, and the mix of emotions provoked by the advertisement. We surveyed 225 adults in Spain who evaluated a fictitious advertisement for companies of different ethical reputations, conveying a philanthropic cause. As a result, it was observed that the advertisement generated a mix of intrinsic and extrinsic attributions and a mix of positive and negative emotions, and the prior ethical reputation of the company was a key antecedent of the effectiveness of the communication. Furthermore, a good attitude towards the advertisement has rewards, in terms of improvement of attitudes towards the brand and behavioural intentions. Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
Corporate Social Responsibility as Stakeholder Engagement: Firm–NGO Collaboration in Sweden
Authors: Fontana Enrico 
Published: September 2017

AbstractThis paper investigates the process of stakeholder collaboration between firms and non‐governmental organizations (NGOs) in Sweden. Collaboration is increasing in importance for corporate social responsibility (CSR); however, the literature does not adequately address how firms and NGOs begin and advance their relationships. This paper focuses on one fashion retailer and four NGOs in Sweden, implementing a resource‐based view to better understand CSR. These NGOs support the firm's CSR toward asylum applicants and low‐income individuals. This study makes three contributions to the CSR literature. First, it finds that the firm and NGOs select each other based on their resources, but for different reasons. Second, it demonstrates that NGOs adjust to corporate demands, but whether this hampers mission integrity depends on the balance between current and future potential for resource acquisition. Finally, it shows the influence of the Swedish context on CSR, arguing that public opinion can be shifted through policy making. Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
Exploring the Reaction Pathways of Bioglycerol Hydrodeoxygenation to Propene over Molybdena‐Based Catalysts
Authors: Zacharopoulou Vasiliki , Vasiliadou Efterpi S. , Lemonidou Angeliki A. 
Published: September 2017

AbstractThe one‐step reaction of glycerol with hydrogen to form propene selectively is a particularly challenging catalytic pathway that has not yet been explored thoroughly. Molybdena‐based catalysts are active and selective to C−O bond scission; propene is the only product in the gas phase under the standard reaction conditions, and further hydrogenation to propane is impeded. Within this context, this work focuses on the exploration of the reaction pathways and the investigation of various parameters that affect the catalytic performance, such as the role of hydrogen on the product distribution and the effect of the catalyst pretreatment step. Under a hydrogen atmosphere, propene is produced primarily via 2‐propenol, whereas under an inert atmosphere propanal and glycerol dissociation products are formed mainly. The reaction most likely proceeds through a reverse Mars–van Krevelen mechanism as partially reduced Mo species drive the reaction to the formation of the desired product.
CGAM: A community and geography aware mobility model
Authors: Mourchid Fatima , Kobbane Abdellatif , Ben Othman Jalel , El Koutbi Mohammed 
Published: September 2017

SummaryThe advances of localization‐enabled technologies have led to huge volumes of large‐scale human mobility data collected from Call Data Records (CDR), Global Positioning System (GPS) tracking systems, and Location Based Social networks (LBSN). These location data that encompass mobility patterns could generate an important value for building accurate and realistic mobility models and hence important value for fields of application including context‐aware advertising, city‐wide sensing applications, urban planning, and more. In this paper, we investigate the underlying spatio‐temporal and structural properties for human mobility patterns, and propose the Community and Geography Aware Mobility (CGAM) model, which characterizes user mobility knowledge through several properties such as home location distribution, community members' distribution, and radius of gyration. We validate the CGAM synthetic traces against real‐world GPS traces and against the traces generated by the baseline mobility model SMOOTH and assess that CGAM is accurate in predicting the performance of flooding‐based and community‐based routing protocols.
Randomized controlled trial comparing smartphone assisted versus traditional guided self‐help for adults with binge eating
Authors: Hildebrandt Tom , Michaelides Andreas , Mackinnon Dianna , Greif Rebecca , DeBar Lynn , Sysko Robyn 
Published: September 2017

AbstractObjectiveGuided self‐help treatments based on cognitive‐behavior therapy (CBT‐GSH) are efficacious for binge eating. With limited availability of CBT‐GSH in the community, mobile technology offers a means to increase use of these interventions. The purpose of this study was to test the initial efficacy of Noom Monitor, a smartphone application designed to facilitate CBT‐GSH (CBT‐GSH + Noom), on study retention, adherence, and eating disorder symptoms compared to traditional CBT‐GSH.MethodSixty‐six men and women with DSM‐5 binge‐eating disorder (BED) or bulimia nervosa (BN) were randomized to receive eight sessions of CBT‐GSH + Noom (n = 33) or CBT‐GSH (n = 33) over 12 weeks. Primary symptom outcomes were eating disorder examination objective bulimic episodes (OBEs), subjective bulimic episodes (SBEs), and compensatory behaviors. Assessments were collected at 0, 4, 8, 12, 24, and 36 weeks. Behavioral outcomes were modeled using zero‐inflated negative‐binomial latent growth curve models with intent‐to‐treat.ResultsThere was a significant effect of treatment on change in OBEs (β = −0.84, 95% CI = −1.49, −0.19) favoring CBT‐GSH + Noom. Remission rates were not statistically different between treatments for OBEs (βlogit = −0.73, 95% CI = −1.86, 3.27; CBT‐GSH‐Noom = 17/27, 63.0% vs. CBT‐GSH 11/27, 40.7%, NNT = 4.5), but CBT‐GSH‐Noom participants reported greater meal and snack adherence and regular meal adherence mediated treatment effects on OBEs. The treatments did not differ at the 6‐month follow‐up.DiscussionSmartphone applications for the treatment binge eating appear to have advantages for adherence, a critical component of treatment dissemination.
Takayasu arteritis presented with acute heart failure: case report and review of literature
Authors: An Xuanqi , Han Yechen , Zhang Bingqing , Qiao Lin , Zhao Yuxing , Guo Xiaoxiao , Fang Ligang , Zhu Wenling , Fang Quan , Shen Zhujun , Zhang Shuyang 
Published: September 2017

AbstractAcute heart failure due to myocarditis is not common in Takayasu arteritis, let alone in combination with thrombosis affecting both ventricles and pulmonary arteries. The concomitant infection of non‐tuberculosis mycobacterium further complicates the clinical scenario and poses challenges for implementation of tailored treatments. This case report describes a teenage girl with a history of intermittent claudication and Erythema Nodosum who developed acute heart failure. Detailed clinical investigations and imaging techniques confirmed the diagnosis.
Autonomic dysfunction is associated with cardiac remodelling in heart failure patients
Authors: Ali Amna , Holm Hannes , Molvin John , Bachus Erasmus , Tasevska‐Dinevska Gordana , Fedorowski Artur , Jujic Amra , Magnusson Martin 
Published: September 2017

AbstractAimsOrthostatic hypotension (OH) is a cardinal sign of autonomic dysfunction and a common co‐morbidity in heart failure (HF). The role of autonomic dysfunction in the development of structural cardiac anomalies in HF patients has not been sufficiently explored. We aimed to assess relations between orthostatic blood pressure (BP) responses during active standing and echocardiographic changes in a series of patients admitted for HF.Methods and resultsOne hundred and forty‐nine patients hospitalized for HF [mean age: 74 years; 30% women; ejection fraction (LVEF) 40 ± 16%] were examined with conventional echocardiograms and active‐standing test. Associations of cardiac remodelling parameters with the difference between supine and standing (after 3 min) systolic/diastolic BP were examined. Systolic BP decreased (−1.1 ± 15 mmHg), whereas diastolic BP increased (+1.0 ± 9.5 mmHg) after 3 min of active standing. A total of 34 patients (23%) met conventional OH criteria; i.e. systolic/diastolic BP decreases by ≥20/10 mmHg. In the multivariable linear regression analysis, adjusted for traditional cardiovascular risk factors and LVEF, a decrease in systolic BP upon standing was associated with greater left atrial volume [β per −10 mmHg: 2.37, standard error (SE) = 1.16, P = 0.043], and greater left ventricular mass (β per −10 mmHg: 5.67, SE = 2.24, P = 0.012), but not with other echocardiographic parameters. No significant associations were observed between signs of cardiac remodelling and decrease in diastolic BP.ConclusionsOrthostatic decrease in systolic BP among older HF patients is associated with structural cardiac changes such as increased left atrial volume and left ventricular mass, independently of traditional risk factors and left ventricular dysfunction.