bluuebunny/crossref_metadata_2025_split huggingface dataset:
Magnetic Anisotropy in CoIIX4 (X=O, S, Se) Single‐Ion Magnets: Role of Structural Distortions versus Heavy Atom Effect
Authors: Sarkar Arup , Tewary Subrata , Sinkar Shwetali , Rajaraman Gopalan 
Published: September 2019

AbstractMononuclear four coordinate CoII complexes have drawn a great deal of attention as they often exhibit excellent single‐ion magnet (SIM) properties. Among the reported complexes, the axial zero‐field splitting parameter (D) was found to vary drastically both in terms of the sign as well as strength. There are various proposals in this respect such as structural distortions, heavier atom substitution, metal‐ligand covalency, tuning secondary coordination sphere, etc. that are expected to control the D values. To assess the importance of structural distortions vs. heavier atom substitution effect, here we have undertaken detailed theoretical studies based on the ab initio CASSCF/NEVPT2 method to estimate zero‐field splitting parameters for twelve complexes reported in the literature. Our test set includes the {CoIIX4} (where X=O, S, Se) core structure where the D value was found to vary from +19 to −118 cm−1. Based on the structural variation, we have classified the complexes into three types (I–III) where type I complexes were found to exhibit the largest negative D value as desired for SIMs. The other two types (II and III) of complexes have been found to be inferior with respect to type I. The secondary coordination sphere was also found to influence D, as substitution on the secondary coordination sphere atom was found to significantly alter the magnitude of D values. Particularly, two structural parameters, namely, the dihedral angle between the two ligand planes and the
X‐Co‐X polar angle were found to heavily influence the sign and strength of D values. Our analysis clearly reveals that these structural factors are much more important than the heavier atom substitution, or metal‐ligand covalency. A large variation in the D and E/D values among these complexes despite possessing a very close structural similarity offers an exquisite playground for a chemist to design and develop new‐generation CoII‐based SIMs.
Steric as well as n→π* Interaction Controls the Conformational Preferences of Phenyl Acetate: Gas‐phase Spectroscopy and Quantum Chemical Calculations
Authors: Singh Santosh K. , Panwaria Prakash , Mishra Kamal K. , Das Aloke 
Published: September 2019

AbstractHerein, we report that the conformational preference of phenyl acetate is governed by steric effect and n→π* interaction. Conformation‐specific electronic and IR spectroscopy combined with quantum chemistry calculations confirm the presence of only the cis conformer of phenyl acetate in the experiment. The cis conformer of phenyl acetate has n→π* interaction between the lone‐pair electrons on the carbonyl oxygen atom and the π* orbitals of the phenyl group. The n→π* interaction is absent in the trans conformer which has additional steric repulsion between the methyl group and phenyl ring. The trans conformer is higher in energy than the cis conformer by ≈3 kcal mol−1. We have found the effect of methyl substitution on the strength of the n→π* interaction, steric repulsion, and hyperconjugation in phenyl acetate. The red‐shift observed in the cis conformer of phenyl acetate with respect to the trans conformer is affected due to the influence of the methyl substituent on the strength of the n→π* interaction as well as hyperconjugation. The present result demonstrates that the introduction of a bulkier substituent can induce steric as well as electronic control to reduce conformational heterogeneity of a molecular system. Understanding the effect of bulkier substituents to promote defined conformations having specific non‐covalent interactions may have implication in better perception of the optimum structure and function of biomolecules as well as recognition of drugs by biomolecules.
Impact of stent diameter on outcomes following percutaneous coronary intervention with second‐generation drug‐eluting stents: Results from a large single‐center registry
Authors: Plitt Anna , Claessen Bimmer E. , Sartori Samantha , Baber Usman , Chandrasekhar Jaya , Aquino Melissa , Vijay Pooja , Elsayed Sherif , Kovacic Jason C. , Sweeny Joseph , Barman Nitin , Moreno Pedro , Krishnan Prakash , Demopoulos Antonia , Dangas George , Kini Annapoorna S. , Mehran Roxana , Sharma Samin K. 
Published: September 2019

AbstractBackgroundIn patients treated with bare metal stents and first‐generation drug‐eluting stents (DES) smaller stent diameter (SD) has been associated with worse long term outcomes after percutaneous coronary intervention (PCI). Data on the impact of small SD on outcomes after PCI with second‐generation DES is scarce.MethodsConsecutive patients treated with second‐generation DES between 2010 and 2016 were included in a single tertiary center. Patients were grouped according to SD: ≤2.50 mm, 2.75 ≤ 3.00 mm, 3.25 ≤ 3.50 mm, and >3.50 mm. One‐year event rates were estimated using the Kaplan–Meier method and adjusted hazard ratios were generated using Cox regression analysis. The primary endpoint was major adverse cardiac events (MACE; death, myocardial infarction [MI], or target vessel revascularization [TVR]).ResultsOf the 17,607 patients who underwent PCI with second‐generation DES, 32.6% (n = 5,741) had SD ≤2.5 mm, 39.1% (n = 6,890) had SD 2.75 ≤ 3.0 mm, 22.2% (n = 3,910) had SD 3.25 ≤ 3.5 mm, and 6.1% (n = 1,066) had SD >3.5 mm. At 1 year, MACE rates were 10.5%, 9.5%, 8.0%, and 8.0%, respectively, with increasing SD (p = .006). TVR rates decreased with increasing SD (7.2%, 5.8%, 4.7%, and 3.3%, respectively [p < .0001]) whereas rates of MI across SD groups were comparable (1.7%, 1.9%, 2.0%, and 1.5%, respectively [p = .60]). After multivariable adjustment, smaller SD remained associated with higher rates of MACE, TVR, and target lesion revascularization.ConclusionIn a large cohort of patients undergoing PCI with second‐generation DES, smaller SD was associated with increased MACE, driven by higher rates of repeat revascularization. Further research into the optimal treatment of small coronary arteries is warranted.
Towards Stable and Conductive Titanium Oxynitride High‐Surface‐Area Support for Iridium Nanoparticles as Oxygen Evolution Reaction Electrocatalyst
Authors: Bele Marjan , Stojanovski Kevin , Jovanovič Primoz , Moriau Leonard , Koderman Podboršek Gorazd , Moškon Jože , Umek Polona , Sluban Melita , Dražič Goran , Hodnik Nejc , Gaberšček Miran 
Published: September 2019

AbstractThe rational design of electrochemical oxygen evolution reaction (OER) electrocatalyst is essential for the development of efficient and sustainable electrochemical energy conversion, storage and electrolysis applications. One of the remaining limitations of the low‐temperature electrolyzers is the large amounts of highly scarce and expensive iridium used as the OER electrocatalysts. This could be solved by applying much smaller amounts of iridium on efficient and stable support. Here we present a very promising functionality of titanium oxynitride (TiONx) high‐surface‐area support that effectively disperses the iridium nanoparticles, exhibits good intrinsic electrical conductivity and stability and thus promises efficient reduction of the noble‐metal loading in electrolyzers gas diffusion electrodes. The new nanocomposite made of approximately 3 nm‐sized iridium nanoparticles finely dispersed on TiONx support is produced using a novel synthetic route. Extensive characterization shows that the new composites exhibit an electronic interaction with the support and, ultimately, a high OER performance in acidic media.
Construction of Biaryls from Aryl Sulfoxides and Anilines by Means of a Sigmatropic Rearrangement
Authors: Yanagi Tomoyuki , Nogi Keisuke , Yorimitsu Hideki 
Published: September 2019

AbstractAn unprecedented S−N variant of the benzidine rearrangement for construction of biaryls has been developed. Aryl sulfoxides underwent dehydrogenative coupling with anilines by successive treatment with trifluoromethanesulfonic anhydride and trifluoromethanesulfonic acid to provide the corresponding 2‐amino‐2′‐sulfanyl‐ and/or 4‐amino‐4′‐sulfanylbiphenyls. Mechanistic studies indicate that the C−C‐bond‐forming sigmatropic rearrangement proceeds intramolecularly from dicationic S−N‐tethered species.
Design and rationale for the “Me & My Heart” (eMocial) study: A randomized evaluation of a new smartphone‐based support tool to increase therapy adherence of patients with acute coronary syndrome
Authors: Krackhardt Florian , Maier Lars S. , Appel Karl‐Friedrich , Köhler Till , Ghanem Alexander , Tschoepe Carsten , Dahl Jürgen vom , Degenhardt Ralf , Niklasson Anna , Ahlqvist Matti , Waliszewski Matthias W. , Jörnten‐Karlsson Magnus 
Published: September 2019

AbstractA novel smartphone‐based patient support tool was developed to increase the adherence to antiplatelet therapy and lifestyle changes in patients after coronary angioplasty for acute coronary syndrome (ACS). The eMocial study (ClinicalTrials.gov Identifier: NCT02615704) investigates whether an electronic support tool will improve adherence to comedication and lifestyle changes in ACS patients. The primary hypothesis of this trial is that an electronic support tool can increase adherence to comedication (primary endpoint) thereby supporting positive lifestyle changes (secondary endpoints). Patients hospitalized with ACS (ST elevation myocardial infarction [STEMI], non‐ST elevation myocardial infarction [NSTEMI], or unstable angina pectoris) and treated with ticagrelor coadministered with low‐dose acetylsalicylic acid will be randomized 1:1 to an active group receiving the patient support tool via a smartphone‐based application or to a control group without the patient support tool. Patient questionnaires to evaluate lifestyle changes and quality of life will be used at baseline and at the end of the 48‐week observation phase. Patients are asked to fill out questionnaires to determine their adherence, treatment attitudes, health‐care utilization and risk factors on a monthly basis. The study was started in February 2016 and the completion date is scheduled for October 2019. For final analysis 664 patients are expected be available. Preliminary baseline demographics were unstable angina pectoris (13.7%), NSTEMI (49.9%), STEMI (36.4%), male gender (86.3%), and diabetes mellitus (17.6%). Our study could significantly help to understand how inadequate adherence to antiplatelet therapy in ACS patients could be improved with a smartphone‐based application.
Risk of ischemic stroke and utility of CHA2DS2‐VASc score in women and men with atrial fibrillation
Authors: Tomasdottir Maria , Friberg Leif , Hijazi Ziad , Lindbäck Johan , Oldgren Jonas 
Published: September 2019

AbstractBackgroundThe magnitude of increased risk of stroke in women with atrial fibrillation (AF) remains uncertain.HypothesisWe investigated the risk of ischemic stroke and death in women and men with AF, and the risk associated with individual non‐sex CHA2DS2‐VASc risk factors.MethodsRetrospective cohort study of 231 077 (48.1% women) nonselected patients with AF not receiving oral anticoagulation from 2006 to 2014. Data from cross‐linked national Swedish registers. The outcome was the first occurrence of ischemic stroke or death. Median age was 82 and 75 years in women and men, respectively. Mean follow‐up was 2.5 years.ResultsHazard ratios, adjusted for non‐sex CHA2DS2‐VASc risk factors, for women vs men were 1.53, 95% CI: 1.49‐1.58 for ischemic stroke and 1.24, 95% CI: 1.22‐1.26 for death, respectively. When divided into age groups the differences in ischemic stroke rates between women and men were attenuated. In patients with only one non‐sex CHA2DS2‐VASc risk factor allotted 1 point, ischemic stroke rates per 100 person‐years were 1.22 in women (n = 9838) and 1.02 in men (n = 15 609), respectively, P < .006. In both women and men, age of 65 to 74 years was associated with higher ischemic stroke risk compared to other non‐sex CHA2DS2‐VASc risk factors allotted 1 point.ConclusionsThe risk of ischemic stroke was 1.5‐fold higher in women compared to men but this association appears to be the result of confounding by age. In the low risk end, the CHA2DS2‐VASc risk score underestimates the ischemic stroke risk conferred by age 65 to 74 years, while it overestimates the risk conferred by female sex.
Auxin‐Inducible Degron System for Depletion of Proteins in Saccharomyces cerevisiae
Authors: Shetty Ameet , Reim Natalia I. , Winston Fred 
Published: September 2019

AbstractThe auxin‐inducible degron (AID) is a powerful tool that is used for depletion of proteins to study their function in vivo. This method can conditionally induce the degradation of any protein by the proteasome simply by the addition of the plant hormone auxin. This approach is particularly valuable to study the function of essential proteins. The protocols provided here describe the steps to construct the necessary strains and to optimize auxin‐inducible depletion in Saccharomyces cerevisiae. © 2019 by John Wiley & Sons, Inc.Basic Protocol 1: Construction of TIR1‐expressing strains by transformationBasic Protocol 2: Tagging a yeast protein of interest with an auxin‐inducible degronSupport Protocol: Construction of depletion strains by genetic crossesBasic Protocol 3: Optimization for depletion of the auxin‐inducible‐degron‐tagged protein
Formal and informal institutional pressures on corporate social responsibility: A cross‐country analysis
Authors: Tolmie Carri Reisdorf , Lehnert Kevin , Zhao Hongxin 
Published: September 2019

AbstractThis study examines the influences of cross‐country institutional pressures on multinational enterprises' corporate social responsibility (CSR). Building on institutional and stakeholder theory, we propose that different formal and informal environments have direct impacts on firm CSR. Specifically, we investigate informal institutions as they relate to self‐transcendent and self‐enhancement values. We propose that the firm's consideration of multiple stakeholder expectations moderates these complex formal and informal institutional relationships. Utilizing hierarchical linear modeling, this study analyzes institutional constraints on nearly 1,000 firms in 47 different countries. The empirical results reveal that informal values that are aligned with the firm's strategies and stakeholder desires have a strong impact on firms' CSR actions. Multiple stakeholder consideration strengthens this important relationship. These findings provide insight on how managers can utilize informal institutions to meet the global challenge of satisfying profit needs and still maintain social responsibility.
Infant emotional responses to challenge predict empathic behavior in toddlerhood
Authors: Noten Malou M. P. G. , van der Heijden Kristiaan B. , Huijbregts Stephan C. J. , van Goozen Stephanie H. M. , Swaab Hanna 
Published: September 2019

AbstractAlthough emotional responses are theorized to be important in the development of empathy, findings regarding the prediction of early empathic behavior by infant behavioral and physiological responses are mixed. This study examined whether behavioral and physiological responses to mild emotional challenge (still face paradigm and car seat task) in 118 infants at age 6 months predicted empathic distress and empathic concern in response to an empathy‐evoking task (i.e, experimenter's distress simulation) at age 20 months. Correlation analyses, corrected for sex and baseline levels of physiological arousal, showed that stronger physiological and behavioral responses to emotional challenge at age 6 months were positively related to observed empathic distress, but not empathic concern, at age 20 months. Linear regression analyses indicated that physiological and behavioral responses to challenge at 6 months independently predicted empathic distress at 20 months, which suggests an important role for both physiological and behavioral emotional responses in empathy development. In addition, curvilinear regression analyses showed quadratic associations between behavioral responses at 6 months, and empathic distress and empathic concern at 20 months, which indicates that moderate levels of behavioral responsivity predict the highest levels of empathic distress and empathic concern.
Steviol glucuronide, a metabolite of steviol glycosides, potently stimulates insulin secretion from isolated mouse islets: Studies in vitro
Authors: Gu Wenqian , Rebsdorf Andreas , Anker Camilla , Gregersen Søren , Hermansen Kjeld , Geuns Jan M. C. , Jeppesen Per Bendix 
Published: September 2019

AbstractAimsSteviol glycosides are the sweet components extracted from medicinal plant Stevia rebaudiana Bertoni, which have antihyperglycaemic effects. Steviol glucuronide (SVG) is the metabolite excreted in human urine after oral administration of steviol glycosides. We aimed to clarify whether SVG exerts direct insulin stimulation from pancreatic islets and to explore its mode of action.Materials and MethodsInsulin secretion was measured after 60 minutes static incubation of isolated mouse islets with (a) 10−9‐10−5 mol/L SVG at 16.7 mmol/L glucose and (b) 10−7 mol/L SVG at 3.3‐16.7 mmol/L glucose. Islets were perifused with 3.3 or 16.7 mmol/L glucose in the presence or absence of 10−7 mol/L SVG. Gene transcription was measured after 72 hours incubation in the presence or absence of 10−7 mol/L SVG.ResultsSVG dose‐dependently increased insulin secretion from mouse islets with 10−7 mol/L exerting the maximum effect in the presence of 16.7 mmol/L glucose (P < .001). The insulinotropic effect of SVG was critically dependent on the prevailing glucose concentration, and SVG (10−7 mol/L) enhanced insulin secretion at or above 11.1 mmol/L glucose (P < .001) and showed no effect at lower glucose concentrations. During perifusion of islets, SVG (10−7 mol/L) had a long‐acting and apparently reversible insulinotropic effect in the presence of 16.7 mmol/L glucose (P < .05). Gene‐transcript levels of B2m and Gcgr were markedly altered.ConclusionThis is the first report to demonstrate that SVG stimulates insulin secretion in a dose‐ and glucose‐dependent manner from isolated mouse islets of Langerhans. SVG may be the main active metabolite after oral intake of steviol glycosides.
CompRess: Composing overlay service resources for end‐to‐end network slices using semantic user intents
Authors: Chen Xi , Yu Hongfang , Xu Shizhong , Du Xiaojiang 
Published: September 2019

AbstractNetwork slicing is considered as a promising approach to bring flexible overlay services to end users, especially in the emerging 5G networks. Vertical network slices have been introducing new players into the arena of networked service provisioning such as automobile, healthcare, etc. Software‐Defined Networking (SDN) and Network Function Virtualization (NFV) are the key enabling technologies for network slicing. The combination of SDN and NFV brings benefits such as network programmability, flexible resources composition, etc; nevertheless, it also introduces complexity in expressing resources composition logics. Following the Intent‐Based Networking (IBN) ideology, this paper presents CompRess, an IBN practice and implementation of overlay service resources composition for end‐to‐end network slices based on Semantic Web techniques in SDN/NFV networks. Web Ontology Language and Resource Description Framework are used for resources modeling and description whereas SPARQL, a structural human‐readable query language, is adopted for user intent expression to bring high‐level abstraction and coarser‐grained encapsulation of low‐level operations. Meanwhile, back‐end K Shortest Paths–based algorithms are derived to compose a multichain Virtual Network Function Forwarding Graph (VNF‐FG) in an IBN flavor where several service function chains can be orchestrated for traffic steering under the hood of front‐end SPARQL‐expressed user intents. The simulation results demonstrate CompRess' applicability in multichain VNF‐FG composition for end‐to‐end network slices.
Multiobjective cooperative swarm intelligence algorithm for uplink resource allocation in LTE‐A networks
Authors: Moses M. Leeban , Kaarthick B. 
Published: September 2019

AbstractNowadays, Long‐Term Evolution Advanced (LTE‐A) network is the primary innovation in 4G networks. The LTE‐A networks convey exceptional data rates and low latency for few sorts of application. Sometimes, in LTE‐A, the multiobjective uplink resource allocation is the perplexing optimization problem, and this problem is considered as 0‐1 multiobjective knapsack trouble. In order to overcome this trouble, a multiobjective cooperative swarm intelligence algorithm for resource allocation is proposed in this paper. In our proposed work, hybrid firefly algorithm (FFA) and particle swarm optimization (PSO) algorithm are utilized to solve 0‐1 multiobjective knapsack problem. Initially, a priority and urgency factor (urgency of packets)–based user ranking and quantifying scheme is designed for scheduling process. After the scheduling process, the resource allocations employ three objective functions, such as maximization of resource utilization, maximization of quality of service (QoS), and interference minimization. The optimization problem is overcome by using the hybrid FFA and PSO algorithm. The experimental outcomes demonstrate that it has the best QoS and less interference in the resource allocation in LTE‐A network than state‐of‐art methods in the proposed strategy.
Interplay of the long axis of the hippocampus and ventromedial prefrontal cortex in schema‐related memory retrieval
Authors: Guo Dingrong , Yang Jiongjiong 
Published: September 2019

AbstractWhen new information is relevant to prior knowledge or schema, it can be learned and remembered better. Rodent studies have suggested that the hippocampus and ventromedial prefrontal cortex (vmPFC) are important for processing schema‐related information. However, there are inconsistent findings from human studies on the involvement of the hippocampus and its interaction with the vmPFC in schema‐related memory retrieval. To address these issues, we used a human analog of the rodent spatial schema task to compare brain activity during immediate retrieval of paired associations (PAs) in schema‐consistent and schema‐inconsistent conditions. The results showed that the anterior hippocampus was more involved in retrieving PAs in the schema‐consistent condition than in the schema‐inconsistent condition. Connectivity analyses showed that the anterior hippocampus had stronger coupling with the vmPFC when the participants retrieved newly learned PAs successfully in the schema‐consistent (vs. schema‐inconsistent) condition, whereas the coupling of the posterior hippocampus with the vmPFC showed the opposite. Taken together, the results shed light on how the long axis of the hippocampus and vmPFC interact to serve memory retrieval via different networks that differ by schema condition.