bluuebunny/crossref_metadata_2025_split huggingface dataset:
The color–flavor incongruency effect in product evaluation and brand perception
Authors: Huang Jianping , Wan Xiaoang 
Published: November 2019

AbstractCrossmodal correspondences refer to the tendency to associate a pair of features across different senses; specifically, consumers can associate the color of packaging with a certain flavor label for packaged foods after repeated exposure to the packaging of mainstream, everyday products. We conducted two studies to examine how the incongruency between packaging color and flavor labeling influences consumers' evaluations of a food product and their perceptions of a brand. The results revealed that the participants liked a food product less when its packaging color was incongruent with its flavor label, but the magnitude of this color–flavor incongruency effect decreased after participants repeatedly searched for these products on the shelves of a virtual supermarket. Participants also considered the brand of packaged foods to be more innovative when the products' packaging colors were incongruent with flavor labels, and the magnitude of this color–flavor incongruency effect on brand perception was not influenced by their experience of searching for a product in virtual reality. Together, these results suggested that crossmodal congruency is an important factor to consider in packaging design and can be used as a marketing tool to increase product likability and attract consumers' attention.
Asymmetric Reduction of (R)‐Carvone through a Thermostable and Organic‐Solvent‐Tolerant Ene‐Reductase
Authors: Tischler Dirk , Gädke Eric , Eggerichs Daniel , Gomez Baraibar Alvaro , Mügge Carolin , Scholtissek Anika , Paul Caroline E. 
Published: November 2019

AbstractEne‐reductases allow regio‐ and stereoselective reduction of activated C=C double bonds at the expense of nicotinamide adenine dinucleotide cofactors [NAD(P)H]. Biological NAD(P)H can be replaced by synthetic mimics to facilitate enzyme screening and process optimization. The ene‐reductase FOYE‐1, originating from an acidophilic iron oxidizer, has been described as a promising candidate and is now being explored for applied biocatalysis. Biological and synthetic nicotinamide cofactors were evaluated to fuel FOYE‐1 to produce valuable compounds. A maximum activity of (319.7±3.2) U mg−1 with NADPH or of (206.7±3.4) U mg−1 with 1‐benzyl‐1,4‐dihydronicotinamide (BNAH) for the reduction of N‐methylmaleimide was observed at 30 °C. Notably, BNAH was found to be a promising reductant but exhibits poor solubility in water. Different organic solvents were therefore assayed: FOYE‐1 showed excellent performance in most systems with up to 20 vol% solvent and at temperatures up to 40 °C. Purification and application strategies were evaluated on a small scale to optimize the process. Finally, a 200 mL biotransformation of 750 mg (R)‐carvone afforded 495 mg of (2R,5R)‐dihydrocarvone (>95 % ee), demonstrating the simplicity of handling and application of FOYE‐1.
Structure and Activity of the Thermophilic Tryptophan‐6 Halogenase BorH
Authors: Lingkon Kazi , Bellizzi John J. 
Published: November 2019

AbstractFlavin‐dependent halogenases carry out regioselective aryl halide synthesis in aqueous solution at ambient temperature and neutral pH using benign halide salts, making them attractive catalysts for green chemistry. BorH and BorF, two proteins encoded by the biosynthetic gene cluster for the chlorinated bisindole alkaloid borregomycin A, are the halogenase and flavin reductase subunits of a tryptophan‐6‐halogenase. Quantitative conversion ofl‐tryptophan (Trp) to 6‐chlorotryptophan could be achieved using 1.2 mol % BorH and 2 mol % BorF. The optimal reaction temperature for Trp chlorination is 45 °C, and the melting temperatures of BorH and BorF are 48 and 50 °C respectively, which are higher than the thermal parameters for most other halogenases previously studied. Steady‐state kinetic analysis of Trp chlorination by BorH determined parameters ofkcat=4.42 min−1, andKMof 9.78 μmat 45 °C. BorH exhibits a broad substrate scope, chlorinating and brominating a variety of aromatic substrates with and without indole groups. Chlorination of Trp at a 100 mg scale with 52 % crude yield, using 0.2 mol % BorH indicates that industrial scale biotransformations using BorH/BorF are feasible. The X‐ray crystal structure of BorH with bound Trp provides additional evidence for the model that regioselectivity is determined by substrate positioning in the active site, showing C6 of Trp juxtaposed with the catalytic Lys79 in the same binding pose previously observed in the structure of Thal.
Improvement in left ventricular function following higher‐risk percutaneous coronary intervention in patients with ischemic cardiomyopathy
Authors: Russo Juan J. , Prasad Megha , Doshi Darshan , Karmpaliotis Dimitrios , Parikh Manish A. , Ali Ziad A. , Popma Jeffrey J. , Pershad Ashish , Ohman E. Magnus , Douglas Pamela S. , O'Neill William W. , Leon Martin B. , Moses Jeffrey W. , Kirtane Ajay J. 
Published: November 2019

AbstractBackgroundSurgical revascularization is associated with improved ventricular function and clinical outcomes among patients with ischemic cardiomyopathy. There are less extensive data on changes in ventricular function among patients with ischemic cardiomyopathy undergoing percutaneous coronary intervention (PCI). Accordingly, we sought to assess the extent and predictors of change in left ventricular ejection fraction (ΔLVEF) among patients undergoing hemodynamically‐supported PCI.MethodsWe assessed ΔLVEF following hemodynamically‐supported PCI (with Impella or intra‐aortic balloon counterpulsation) among patients enrolled in the PROTECT II trial and cVAD registry. The ΔLVEF was compared among patients with paired echocardiography at baseline and at least 30 days of follow‐up. Independent correlates of ΔLVEF (modeled continuously and with an absolute ΔLVEF≥5%) were assessed using multivariable models.ResultsAmong the 689 patients with paired echocardiographic data included in the analysis, the mean LVEF improved from 24.8 ± 9.9% to 31.4 ± 13.3% after PCI, for a net increase of 6.5 ± 10.8% (p < .001). A total of 395 (57%) patients had ΔLVEF ≥ 5% following hemodynamically‐supported PCI. The number of vessels treated was associated with ΔLVEF (ΔLVEF 5.5% with 1 vessel, 6.6% with 2 vessels, and 8.3% with 3 vessels, p for trend = .046). A lower baseline LVEF, absence of a history of congestive heart failure or aldosterone receptor antagonist use, and a greater number of vessels treated were independent correlates of LVEF improvement.ConclusionsAmong patients with severe left ventricular systolic dysfunction and paired echocardiographic assessments, an improvement in LVEF was observed following hemodynamically‐supported PCI.
New Role of Pd Hydride as a Sensor of Surface Pd Distributions in Pd−Au Catalysts
Authors: Guan Erjia , Foucher Alexandre C. , Marcella Nicholas , Shirman Tanya , Luneau Mathilde , Head Ashley R. , Verbart David M. A. , Aizenberg Joanna , Friend Cynthia M. , Stacchiola Dario , Stach Eric A. , Frenkel Anatoly I. 
Published: November 2019

AbstractIsolated or contiguous, the surface distributions of Pd atoms in the Pd−Au bimetallic nanoparticle (NP) catalysts often influence activity and selectivity towards specific reactions. In this study, we used a concomitant Pd hydride formation upon H2 exposure as a probe of presence of contiguous Pd regions in bimetallic NPs. For demonstrating this method, we prepared silica supported monometallic Pd and bimetallic Pd−Au NPs with a Pd/Au ratio of 25/75 (Pd25Au75) and used X‐ray absorption spectroscopy, scanning transmission electron microscopy and infrared spectroscopy to detect and quantitatively analyze the Pd hydride regions. This work provides a new approach to characterizing intra‐particle heterogeneities within the bimetallic NPs at ambient temperature and pressure.
Carbon Layer Coated Ni3S2/MoS2 Nanohybrids as Efficient Bifunctional Electrocatalysts for Overall Water Splitting
Authors: Wang Chao‐Peng , Kong Ling‐Jun , Sun Hao , Zhong Ming , Cui Hui‐Juan , Zhang Ying‐Hui , Wang Dan‐Hong , Zhu Jian , Bu Xian‐He 
Published: November 2019

AbstractDeveloping active, stable, and cost‐effective water splitting catalysts is a critical step towards a sustainable energy future. Heterostructures of transition metal chalcogenides have emerged as important candidates for catalyzing oxygen evolution reaction (OER) or hydrogen evolution reaction (HER), due to the synergistic effects originating from the increased active sites or accelerated electron transfer. Current limitation to this strategy lies in the complication of synthesis often resorting to the direct growth of hybrid structures on a conductive current collector. Here, a simple approach is selected to synthesize graphitic carbon layer coated Ni3S2/MoS2 heterostructures (denoted as NMC) with a facile scaffold‐free solvothermal method followed by controlled pyrolysis. The NMC obtained at 600 °C behave as durable, efficient oxygen and hydrogen evolution electrodes with overpotentials of 350 mV and 233 mV respectively at 10 mA cm−2 in 1.0 M KOH. In addition, the catalysts demonstrate a high efficiency for overall water splitting. Such architected catalyst designs may shed light on the development of more efficient bifunctional electrocatalysts.
ZnO‐Templated Selenized and Phosphorized Cobalt‐Nickel Oxide Microcubes as Rapid Alkaline Water Oxidation Electrocatalysts
Authors: Riaz Muhammad Sohail , Zhao Siwei , Dong Chenlong , Nong Shuying , Zhao Yantao , Iqbal Muhammad Javed , Huang Fuqiang 
Published: November 2019

AbstractOxygen electrocatalysis is of remarkable significance for electrochemical energy storage and conversion technologies, together with fuel cells, metal‐air batteries, and water splitting devices. Substituting noble metal‐based electrocatalysts by decidedly effective and low‐cost metal‐based oxygen electrocatalysts is imperative for the commercial application of these technologies. Herein, a novel strategy is presented to fabricate selenized and phosphorized porous cobalt‐nickel oxide microcubes by using a sacrificial ZnO spherical template and the resulting microcubes are employed as an oxygen evolution reaction (OER) electrocatalyst. The selenized samples manifest desirable and robust OER performance, with comparable overpotential at 10 mA cm−2 (312 mV) as RuO2 (308 mV) and better activity when the current reaches 13.7 mA cm−2. The phosphorized samples exhibit core–shell structure with low‐crystalline oxides inside amorphous phosphides, which ensures superior activity than RuO2 with the same overpotential (at 10 mA cm−2) yet lower Tafel slope. Such a surface doping method possibly will provide inspiration for engineering electrocatalysts applied in water oxidation.
Micro/Nanoengineered α‐Fe2O3 Nanoaggregate Conformably Enclosed by Ultrathin N‐Doped Carbon Shell for Ultrastable Lithium Storage and Insight into Phase Evolution Mechanism
Authors: Xie Dan , Li Huan‐Huan , Shi Yan‐Hong , Diao Wan‐Yue , Jiang Ru , Sun Hai‐Zhu , Wu Xing‐Long , Li Wenliang , Fan Chao‐Ying , Zhang Jing‐Ping 
Published: November 2019

AbstractThe Fe‐based transition metal oxides are promising anode candidates for lithium storage considering their high specific capacity, low cost, and environmental compatibility. However, the poor electron/ion conductivity and significant volume stress limit their cycle and rate performances. Furthermore, the phenomena of capacity rise and sudden decay for α‐Fe2O3 have appeared in most reports. Here, a uniform micro/nano α‐Fe2O3 nanoaggregate conformably enclosed in an ultrathin N‐doped carbon network (denoted as M/N‐α‐Fe2O3@NC) is designed. The M/N porous balls combine the merits of secondary nanoparticles to shorten the Li+ transportation pathways as well as alleviating volume expansion, and primary microballs to stabilize the electrode/electrolyte interface. Furthermore, the ultrathin carbon shell favors fast electron transfer and protects the electrode from electrolyte corrosion. Therefore, the M/N‐α‐Fe2O3@NC electrode delivers an excellent reversible capacity of 901 mA h g−1 with capacity retention up to 94.0 % after 200 cycles at 0.2 A g−1. Notably, the capacity rise does not happen during cycling. Moreover, the lithium storage mechanism is elucidated by ex situ XRD and HRTEM experiments. It is verified that the reversible phase transformation of α↔γ occurs during the first cycle, whereas only the α‐Fe2O3 phase is reversibly transformed during subsequent cycles. This study offers a simple and scalable strategy for the practical application of high‐performance Fe2O3 electrodes.
Porous Molecular Capsules as Non‐Polymeric Transducers of Mechanical Forces to Mechanophores
Authors: Jędrzejewska Hanna , Wielgus Ewelina , Kaźmierski Sławomir , Rogala Halina , Wierzbicki Michał , Wróblewska Aneta , Pawlak Tomasz , Potrzebowski Marek J. , Szumna Agnieszka 
Published: November 2019

AbstractMechanical grinding/milling can be regarded as historically the first technology for changing the properties of matter. Mechanically activated molecular units (mechanophores) can be present in various structures: polymers, macromolecules, or small molecules. However, only polymers have been reported to effectively transduce energy to mechanophores, which induces breakage of covalent bonds. In this paper, a second possibility is presented—molecular capsules as stress‐sensitive units. Mechanochemical encapsulation of fullerenes in cystine‐based covalent capsules indicates that complexation takes place in the solid state, despite the fact that the capsules do not possess large enough entrance portals. By using a set of solvent‐free MALDI (sf‐MALDI) and solid‐state NMR (ss‐NMR) experiments, it has been proven that encapsulation proceeds during milling and in this process hydrazones and disulfides get activated for breakage, exchange, and re‐forming. The capsules are porous and therefore prone to collapse under solvent‐free conditions and their conformational rigidity promotes the collapse by the breaking of covalent bonds.
Ultrathin Films of Porous Metal–Organic Polyhedra for Gas Separation
Authors: Andrés Miguel A. , Carné‐Sánchez Arnau , Sánchez‐Laínez Javier , Roubeau Olivier , Coronas Joaquín , Maspoch Daniel , Gascón Ignacio 
Published: November 2019

AbstractUltrathin films of a robust RhII‐based porous metal–organic polyhedra (MOP) have been obtained. Homogeneous and compact monolayer films (ca. 2.5 nm thick) were first formed at the air–water interface, deposited onto different substrates and characterized using spectroscopic methods, scanning transmission electron microscopy and atomic force microscopy. As a proof of concept, the gas separation performance of MOP‐supported membranes has also been evaluated. Selective MOP ultrathin films (thickness ca. 60 nm) exhibit remarkable CO2 permeance and CO2/N2 selectivity, demonstrating the great combined potential of MOP and Langmuir‐based techniques in separation technologies.
Singly and Doubly Quinoxaline‐Fused BIII Subporphyrins
Authors: Kise Koki , Osuka Atsuhiro 
Published: November 2019

AbstractB‐Phenyl BIII subporphyrin‐α‐diones prepared in a three‐step reaction sequence from the parent subporphyrin were condensed with 1,2‐diaminobenzenes to give the corresponding quinoxaline‐fused subporphyrins in variable yields. Quinoxaline‐fused B‐phenyl‐5,10,15‐triphenyl BIII subporphyrin was transformed to the corresponding subporphyrin‐α‐dione in the same three‐step reaction sequence, which was then condensed with 1,2‐diaminobenzene to give doubly quinoxaline‐fused subporphyrin. These quinoxaline‐fused subporphyrins exhibit redshifted absorption and fluorescence spectra compared with the parent one. A singly quinoxaline‐fused subporphyrin bearing three meso‐bis(4‐dimethylaminophenyl)aminophenyl substituents shows blueshifted fluorescence in less polar solvent, which has been ascribed to emission associated with charge recombination of intramolecular charge transfer (CT) state.
Molecular Acceptors Based on a Triarylborane Core Unit for Organic Solar Cells
Authors: Yu Yingjian , Meng Bin , Jäkle Frieder , Liu Jun , Wang Lixiang 
Published: November 2019

AbstractTriarylboranes that exhibit p–π* conjugation serve as versatile building blocks to design n‐type organic/polymer semiconductors. A series of new molecular acceptors based on triarylborane is reported here. These molecules are designed with a boron atom that bears a bulky 2,4,6‐tri‐tert‐butylphenyl (Mes*) substituent at the core and strong electron‐withdrawing 2‐(3‐oxo‐2,3‐dihydroinden‐1‐ylidene)malononitrile (IC) units as the end‐capping groups that are linked to the core by bithiophene bridges. Butyl or butoxy groups are introduced to the bithiophene units to tune the optoelectronic properties. These molecules show nearly planar backbones with highly localized steric hindrance at the core, low LUMO/HOMO energy levels, and broad absorption bands spanning the visible region, which are all very desirable characteristics for use as electron acceptors in organic solar cell (OSC) applications. The attachment of butyl groups to the bithiophene bridges brings about a slightly twisted backbone, which in turn promotes good solubility and homogeneous donor/acceptor blend morphology, whereas the introduction of butoxy groups leads to improved planarity, favorable stacking in the film state, and a greatly reduced band gap. OSC devices based on these molecules exhibit encouraging photovoltaic performances with power conversion efficiencies reaching up to 4.07 %. These results further substantiate the strong potential of triarylboranes as the core unit of small molecule acceptors for OSC applications.
Strategies for Tumor Hypoxia Imaging Based on Aggregation‐Induced Emission Fluorogens
Authors: Xue Tianhao , Shen Jiajia , Shao Kuanchun , Wang Wei , Wu Bing , He Yaning 
Published: November 2019

AbstractHypoxia, as a crucial characteristic of cancer, has become an extremely significant direction for researchers to construct fluorescent probes for early diagnosis of tumors. Aggregation‐induced emission fluorogens (AIEgens) possess many superior properties to those of conventional fluorophores due to aggregation‐induced emission (AIE) features, such as a linear concentration‐dependent increase in brightness, remarkable resistance to photobleaching, and the long‐term tracking and imaging of cells. Constructing hypoxic response AIEgen‐based probes will be very useful for the early diagnosis of tumors. Herein, several hypoxia‐responsive probes based on AIEgens reported in the last three years are reported; these examples may lead to the construction of hypoxia‐responsive AIE probes used for tumor hypoxia imaging in the future. In addition, typical, conventional hypoxia‐responsive bioprobes are presented to further understand hypoxia‐responsive fluorescent probes based on AIEgens.
Using Peptide Arrays to Profile Phosphatase Activity in Cell Lysates
Authors: Szymczak Lindsey C. , Sykora Daniel J. , Mrksich Milan 
Published: November 2019

AbstractPhosphorylation is an important post‐translational modification on proteins involved in many cellular processes; however, understanding of the regulation and mechanisms of global phosphorylation remains limited. Herein, we utilize self‐assembled monolayers on gold for matrix‐assisted laser desorption/ionization mass spectrometry (SAMDI‐MS) with three phosphorylated peptide arrays to profile global phosphatase activity in cell lysates derived from five mammalian cell lines. Our results reveal significant differences in the activities of protein phosphatases on phospho‐ serine, threonine, and tyrosine substrates and suggest that phosphatases play a much larger role in the regulation of global phosphorylation on proteins than previously understood.
Structural Characterization of a Series of N5‐Ligated MnIV‐Oxo Species
Authors: Massie Allyssa A. , Denler Melissa C. , Singh Reena , Sinha Arup , Nordlander Ebbe , Jackson Timothy A. 
Published: November 2019

AbstractAnalysis of extended X‐ray absorption fine structure (EXAFS) data for the MnIV‐oxo complexes [MnIV(O)(DMMN4py)]2+, [MnIV(O)(2pyN2B)]2+, and [MnIV(O)(2pyN2Q)]2+ (DMMN4py=N,N‐bis(4‐methoxy‐3,5‐dimethyl‐2‐pyridylmethyl)‐N‐bis(2‐pyridyl)methylamine; 2pyN2B=(N‐bis(1‐methyl‐2‐benzimidazolyl)methyl‐N‐(bis‐2‐pyridylmethyl)amine, and 2pyN2Q=N,N‐bis(2‐pyridyl)‐N,N‐bis(2‐quinolylmethyl)methanamine) afforded Mn=O and Mn−N bond lengths. The Mn=O distances for [MnIV(O)(DMMN4py)]2+ and [MnIV(O)(2pyN2B)]2+ are 1.72 and 1.70 Å, respectively. In contrast, the Mn=O distance for [MnIV(O)(2pyN2Q)]2+ was significantly longer (1.76 Å). We attribute this long distance to sample heterogeneity, which is reasonable given the reduced stability of [MnIV(O)(2pyN2Q)]2+. The Mn=O distances for [MnIV(O)(DMMN4py)]2+ and [MnIV(O)(2pyN2B)]2+ could only be well‐reproduced using DFT‐derived models that included strong hydrogen‐bonds between second‐sphere solvent 2,2,2‐trifluoroethanol molecules and the oxo ligand. These results suggest an important role for the 2,2,2‐trifluoroethanol solvent in stabilizing MnIV‐oxo adducts. The DFT methods were extended to investigate the structure of the putative [MnIV(O)(N4py)]2+⋅(HOTf)2 adduct. These computations suggest that a MnIV‐hydroxo species is most consistent with the available experimental data.
The “Inverted Bonds” Revisited: Analysis of “In Silico” Models and of [1.1.1]Propellane by Using Orbital Forces
Authors: Laplaza Rubén , Contreras‐Garcia Julia , Fuster Franck , Volatron François , Chaquin Patrick 
Published: November 2019

AbstractThis article dwells on the nature of “inverted bonds”, which refer to the σ interaction between two sp hybrids by their smaller lobes, and their presence in [1.1.1]propellane. Firstly, we study H3C−C models of C−C bonds with frozen H‐C‐C angles reproducing the constraints of various degrees of “inversion”. Secondly, the molecular orbital (MO) properties of [1.1.1]propellane and [1.1.1]bicyclopentane are analyzed with the help of orbital forces as a criterion of bonding/antibonding character and as a basis to evaluate bond energies. Triplet and cationic states of [1.1.1]propellane species are also considered to confirm the bonding/antibonding character of MOs in the parent molecule. These approaches show an essentially non‐bonding character of the σ central C−C interaction in propellane. Within the MO theory, this bonding is thus only due to π‐type MOs (also called “banana” MOs or “bridge” MOs) and its total energy is evaluated to approximately 50 kcal mol−1. In bicyclopentane, despite a strong σ‐type repulsion, a weak bonding (15–20 kcal mol−1) exists between both central C−C bonds, also due to π‐type interactions, though no bond is present in the Lewis structure. Overall, the so‐called “inverted” bond, as resulting from a σ overlap of the two sp hybrids by their smaller lobes, appears highly questionable.