bluuebunny/crossref_metadata_2025_split huggingface dataset:
Adenylation Activity of Carboxylic Acid Reductases Enables the Synthesis of Amides
Authors: Wood Alexander J. L. , Weise Nicholas J. , Frampton Joseph D. , Dunstan Mark S. , Hollas Michael A. , Derrington Sasha R. , Lloyd Richard C. , Quaglia Daniela , Parmeggiani Fabio , Leys David , Turner Nicholas J. , Flitsch Sabine L. 
Published: September 2017

AbstractCarboxylic acid reductases (CARs) catalyze the reduction of a broad range of carboxylic acids to aldehydes using the cofactors adenosine triphosphate and nicotinamide adenine dinucleotide phosphate, and have become attractive biocatalysts for organic synthesis. Mechanistic understanding of CARs was used to expand reaction scope, generating biocatalysts for amide bond formation from carboxylic acid and amine. CARs demonstrated amidation activity for various acids and amines. Optimization of reaction conditions, with respect to pH and temperature, allowed for the synthesis of the anticonvulsant ilepcimide with up to 96 % conversion. Mechanistic studies using site‐directed mutagenesis suggest that, following initial enzymatic adenylation of substrates, amidation of the carboxylic acid proceeds by direct reaction of the acyl adenylate with amine nucleophiles.
Lanthanide‐Coordinated Semiconducting Polymer Dots Used for Flow Cytometry and Mass Cytometry
Authors: Wu Xu , DeGottardi Quinn , Wu I‐Che , Yu Jiangbo , Wu Li , Ye Fangmao , Kuo Chun‐Ting , Kwok William W. , Chiu Daniel T. 
Published: September 2017

AbstractSimultaneous monitoring of biomarkers as well as single‐cell analyses based on flow cytometry and mass cytometry are important for investigations of disease mechanisms, drug discovery, and signaling‐network studies. Flow cytometry and mass cytometry are complementary to each other; however, probes that can satisfy all the requirements for these two advanced technologies are limited. In this study, we report a probe of lanthanide‐coordinated semiconducting polymer dots (Pdots), which possess fluorescence and mass signals. We demonstrated the usage of this dual‐functionality probe for both flow cytometry and mass cytometry in a mimetic cell mixture and human peripheral blood mononuclear cells as model systems. The probes not only offer high fluorescence signal for use in flow cytometry, but also show better performance in mass cytometry than the commercially available counterparts.
Anti‐freezing, Conductive Self‐healing Organohydrogels with Stable Strain‐Sensitivity at Subzero Temperatures
Authors: Rong Qinfeng , Lei Wenwei , Chen Lie , Yin Yongai , Zhou Jiajia , Liu Mingjie 
Published: September 2017

AbstractConductive hydrogels are a class of stretchable conductive materials that are important for various applications. However, water‐based conductive hydrogels inevitably lose elasticity and conductivity at subzero temperatures, which severely limits their applications at low temperatures. Herein we report anti‐freezing conductive organohydrogels by using an H2O/ethylene glycol binary solvent as dispersion medium. Owing to the freezing tolerance of the binary solvent, our organohydrogels exhibit stable flexibility and strain‐sensitivity in the temperature range from −55.0 to 44.6 °C. Meanwhile, the solvent molecules could form hydrogen bonds with polyvinyl alcohol (PVA) chains and induce the crystallization of PVA, greatly improving the mechanical strength of the organohydrogels. Furthermore, the non‐covalent crosslinks endow the conductive organohydrogels with intriguing remoldability and self‐healing capability, which are important for practical applications.
The Surface of Ice Is Like Supercooled Liquid Water
Authors: Smit Wilbert J. , Bakker Huib J. 
Published: September 2017

AbstractThe surface of ice has been reported to be disordered at temperatures well below the bulk melting point. However, the precise nature of this disorder has been a topic of intense debate. Herein, we study the molecular properties of the surface of ice as a function of temperatures using heterodyne‐detected sum‐frequency generation spectroscopy. We observe that, down to 245 K, the spectral response of the surface of ice contains a component that is indistinguishable from supercooled liquid water.
Reaction of a Programmable Glycan Presentation of Glycodendrimersomes and Cells with Engineered Human Lectins To Show the Sugar Functionality of the Cell Surface
Authors: Kopitz Jürgen , Xiao Qi , Ludwig Anna‐Kristin , Romero Antonio , Michalak Malwina , Sherman Samuel E. , Zhou Xuhao , Dazen Cody , Vértesy Sabine , Kaltner Herbert , Klein Michael L. , Gabius Hans‐Joachim , Percec Virgil 
Published: September 2017

AbstractChemical and biological tools are harnessed to investigate the impact of spatial factors for functional pairing of human lectins with counterreceptors. The homodimeric adhesion/growth‐regulatory galectin‐1 and a set of covalently linked homo‐oligomers from di‐ to tetramers serve as proof‐of‐principle test cases. Glycodendrimersomes provide a versatile and sensitive diagnostic platform to reveal thresholds for ligand density and protein concentration in aggregation assays (trans‐activity), irrespective of linker length between lectin domains. Monitoring the affinity of cell binding and ensuing tumor growth inhibition reveal the linker length to be a bidirectional switch for cis‐activity. The discovery that two aspects of lectin functionality (trans‐ versus cis‐activity) respond non‐uniformly to a structural change underscores the power of combining synthetic and biological tools to advance understanding of the sugar functionality of the cell surface.
Luciferases with Tunable Emission Wavelengths
Authors: Hiblot Julien , Yu Qiuliyang , Sabbadini Marina D.B. , Reymond Luc , Xue Lin , Schena Alberto , Sallin Olivier , Hill Nicholas , Griss Rudolf , Johnsson Kai 
Published: September 2017

AbstractWe introduce luciferases whose emission maxima can be tuned to different wavelengths by chemical labeling. The luciferases are chimeras of NanoLuc with either SNAP‐tag or HaloTag7. Labeling of the self‐labeling tag with a fluorophore shifts the emission maximum of NanoLuc to that of the fluorophore. Luciferases with tunable colors have applications as reporter genes, for the construction of biosensors and in bioimaging.
[SnBi3]5− —A Carbonate Analogue Comprising Exclusively Metal Atoms
Authors: Mayer Kerstin , Dums Jasmin V. , Klein Wilhelm , Fässler Thomas F. 
Published: September 2017

AbstractThe new [SnBi3]5− polyanion is obtained by the reaction of K3Bi2 with K4Sn9 or K12Sn17 in liquid ammonia. The anion is iso(valence)electronic with and structurally analogous to the carbonate ion. Despite the high negative charge of the anion, the Sn−Bi bond lengths range between single and double bonds. Quantum‐chemical calculations at a DFT‐PBE0/def2‐TZVPP/COSMO level of theory reveal that the partial double bond character between the heavy main‐group atoms Bi and Sn originates from a delocalized π‐electronic system. The structure of the anion is determined by single‐crystal X‐ray diffraction analyses of the compounds K5[SnBi3] 9 NH3 (1) and K9[K(18‐crown‐6)][SnBi3]2⋅15 NH3 (2). The [SnBi3]5− unit is the first example of a carbonate‐like anion obtained from solution, and it consists exclusively of metal atoms and completes the series of metal analogues of CO and CO2.
Ibuprofen‐imprinted ultrathin poly[N‐(2‐hydroxypropyl) methacrylamide] films
Authors: Yildirim Ertan , Caykara Tuncer 
Published: September 2017

ABSTRACTSurface molecularly imprinted (MIP) poly[N‐(2‐hydroxypropyl) methacrylamide] [poly(HPMA)] films were prepared via interface‐mediated reversible addition‐fragmentation chain transfer (RAFT) polymerization from 4‐cyano‐4‐(propylsulfanylthiocarbonyl) sulfanyl pentanoic acid immobilized silicon substrate using N‐(2‐hydroxypropyl) methacrylamide as the functional monomer, N,N′‐methylene(bis)acrylamide as the crosslinking agent, and ibuprofen as the template molecule. The highly crosslinked MIP layer (∼12 nm) was homogeneously grafted onto the silicon surface, which favors fast mass transfer and rapid binding kinetics. Binding capacities and adsorption parameters of the MIP poly(HPMA) films were calculated from the root‐mean‐square roughness data obtained by atomic force microscopy measurements using the Luzinov and Langmuir equations adopted for this study. The target binding assays demonstrate the desirable binding capacity and imprinting efficiency of the MIP poly(HPMA) films. Meanwhile, the computational optimization and energy calculations showed the formation of the self‐assembly of monomer and template molecule via noncovalent interactions that leads to a 1:4 molecular complex between ibuprofen and N‐(2‐hydroxypropyl) methacrylamide. This study provides a versatile approach to the quantitative determination of low‐molecular‐weight biomolecules on surface‐imprinted polymers. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45707.
The effect of acrylate on structure and properties of waterborne polyurethane porous coated fabrics
Authors: Zheng Guikai , Lu Ming , Rui Xiaoping , Sun Yongxin 
Published: September 2017

ABSTRACTPorous‐coated fabrics used for synthetic leather were prepared by mechanical foaming method using blends of waterborne polyurethanes (WPUs) and polyacrylate (AC). The effect of AC on structure and properties of WPU/AC coated fabrics was investigated. Fourier transform infrared spectroscopy and differential scanning calorimetry results indicated that there is hydrogen bonding between WPU and AC and the compatibility of the blend system gets worse after AC/WPU ratio is higher than 30/70. Thermogravimetric analysis demonstrated that the thermal stability of porous coatings is improved with increasing AC. Scanning electron microscopy images showed that porous coatings have semi‐open cellular structure with a great number of surface pores and window pores, imparting excellent air permeability and water vapor permeability to coated fabrics. On the basis of morphology analysis, the forming process of cell structure of WPU/AC coated fabrics was proposed. Performance tests showed that the overall performance of coated fabrics is best with AC/WPU ratio ranging from 15/85 to 30/70. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45783.
Islamophobia: Prejudice, the psychological skin of the self and large‐group dynamics
Authors: Ad‐Dab'bagh Yasser 
Published: September 2017

AbstractIn this paper, I elaborate on the work done in a previous paper that described a psychological model that allows for a better understanding of the intra‐psychic experiences of victims of acts of prejudice. The model, centered around the notion of a psychological boundary, or “skin of the self”, provides a possible developmental trajectory for the formation of two separate but parallel functions of the skin of the self and describes the framework within which these functions determine the impact of prejudicial injuries. In the present work I extend these ideas to address large‐group dynamics and integrate them with the pioneering ideas elaborated by Vamik Volkan in this area, while developing a few new concepts that I believe increase the utility of large‐group dynamics in understanding the experiences of victims of Islamophobia, as well as shed some light on what might motivate perpetrators of it within the contemporary geopolitical environment, particularly in the United States.
Globally Stable Adaptive Dynamic Surface Control for Cooperative Path Following of Multiple Underactuated Autonomous Underwater Vehicles
Authors: Wang Hao , Li Yiping , Liu Kaizhou 
Published: September 2017

AbstractThe cooperative path following problem of multiple underactuated autonomous underwater vehicles (AUVs) involves two tasks. The first one is to force each AUV to converge to the desired parameterized path. The second one is to satisfy the requirement of a cooperative behavior along the paths. In this paper, both of the tasks have been further studied. For the first one, a simplified path following controller is proposed by incorporating the dynamic surface control (DSC) technique to avoid the calculation of derivatives of virtual control signals. Besides, in order to handle the uncertain dynamics, a new type of neural network (NN) adaptive controller is derived, and then an NN based energy‐efficient path following controller is firstly proposed, which consists of an adaptive neural controller dominating in the neural active region and an extra robust controller working outside the neural active region. For the second one, in order to reduce the amount of communications between multiple AUVs, a distributed estimator for the reference common speed is firstly proposed as determined by the communications topology adopted, which means the global knowledge of the reference speed is relaxed for the problem of cooperative path following. The overall algorithm ensures that all the signals in the closed‐loop system are globally uniformly ultimately bounded (GUUB) and the output of the system converges to a small neighborhood of the reference trajectory by properly choosing the design parameters. Simulation results validate the performance and robustness of the proposed strategy.
Effect of a transactional model education program on coping effectiveness in women with multiple sclerosis
Authors: Sanaeinasab Hormoz , Saffari Mohsen , Hashempour Mahrokh , Karimi Zarchi Ali‐Akbar , Alghamdi Waleed A. , Koenig Harold G. 
Published: September 2017

AbstractObjectivesMultiple sclerosis (MS) is a chronic and progressive disease that causes stress due to its unpredictability and lack of definitive treatments. This study examined the effects of an educational program using a transactional model to help women with MS cope with their disease.Materials and MethodsIn a randomized clinical trial, 80 female patients from the MS Society of Iran were randomized to the intervention (n = 40) or a control group (n = 40). Outcomes were assessed using Cohen's Perceived Stress Scale (PSS) and the Jalowiec Coping Scale (JCS), which were completed by both groups at baseline, 1 month, and 3 months after the intervention. The intervention consisted of six educational sessions administered over 2 months based on a transactional model. The data were analyzed using repeated measures ANOVA.ResultsAverage PSS scores decreased significantly over time in the intervention group, while increasing in the control group. Between‐group differences were significant at both 1‐month and 3‐month follow‐up (p < .001). Both problem‐focused and emotion‐focused coping styles improved over time in use and effectiveness in the intervention group, whereas little or no change occurred in these coping behaviors in the control group.ConclusionThe transactional model‐based education program tested here was successful in reducing stress levels and increasing healthy coping styles in women with MS. If these findings are replicated in future studies, widespread adoption of this program may help women with MS cope more successfully with their disease.
Osteonecrosis of the jaw and survival of patients with cancer: a nationwide cohort study in Denmark
Authors: Corraini Priscila , Heide‐Jørgensen Uffe , Schiødt Morten , Nørholt Sven Erik , Acquavella John , Sørensen Henrik Toft , Ehrenstein Vera 
Published: September 2017

AbstractOsteonecrosis of the jaw (ONJ) is an adverse effect of bone‐targeted therapies, which are used to prevent symptomatic skeletal events following bone malignancy. We examined the association between ONJ and survival among cancer patients treated with bone‐targeted agents. Using nationwide registries and databases in Denmark, we identified 184 cancer patients with incident ONJ between 2010 and 2015, and a comparison cohort of 1067 cancer patients without ONJ and with a history of hospital‐administered treatment with bisphosphonates or denosumab initiating from cancer diagnosis. At the date of confirmed ONJ diagnosis, the comparison cohort was matched to the ONJ patients on age, cancer site, year of cancer diagnosis, and stage at diagnosis. The patients were followed up for survival until emigration or 15 June 2016. We computed overall survival and estimated mortality rate ratios adjusted for sex, and for the presence of distant metastases and other comorbidity at start of follow‐up. A match was found for 149 of the 184 ONJ patients. The 1‐ and 3‐year survival among all 184 cancer patients with ONJ was 70% (95% confidence interval [CI]: 63%–76%) and 42% (95% CI: 34%–51%), respectively. Among the matched patients, ONJ was associated with an adjusted mortality rate ratio of 1.31 (95% CI: 1.01–1.71). ONJ was associated with reduced survival among cancer patients treated with bone‐targeted agents. ONJ may be a marker of advanced disease or of survival‐related lifestyle characteristics.
Search engine advertising for organic food: The effectiveness of information concreteness on advertising performance
Authors: Yang Shuai , Li Dong , Tao Zhihao , Li Xun 
Published: September 2017

AbstractThe purpose of this article is to explore the effects of information concreteness (i.e., abstract and concrete information) on the performance of search engine advertising for organic food. We test our conceptual framework in one field experiment conducted by an organic food company. Both the model‐free evidence and empirical model results show that the effects of abstract and concrete information in advertising for organic food depend on the specificity of search keywords. Specifically, when consumers are searching for generic keywords without organic claims, using abstract information to describe the benefits of organic food in advertising could help to improve the advertisement performance. However, when consumers are searching for specific keywords with organic claims, concrete information in advertising would perform better than abstract information.
Predispersed Carbocatalyst: Vertically Aligned Nitrogen‐Doped Graphene Rooted on SiC Microspheres for Selective Oxidation
Authors: Ma Jun , Wu Nan , Sun Shi‐an , Yao Ting , Li Gong‐yi , Hu Tian‐jiao , Li Yi‐he , Li Xiao‐dong 
Published: September 2017

AbstractVertically aligned N‐doped graphene rooted on SiC microspheres (NG on SiC) is prepared by precursor pyrolysis. One of the raw materials, acetonitrile, has three important effects that could facilitate the N‐doping process effectively, promote the lateral dimensions and improve the graphitization degree of NG on SiC significantly. The metal‐free carbocatalyst NG on SiC is an effective and selective oxidation catalyst towards targeted C−H bond activation of ethylbenzene. The unique nanostructure of NG on SiC is composed of predispersed graphene, which is expected to avoid harmful agglomeration during preparation, storage, transportation, and applications.
Direct Synthesis of Lactams from Keto Acids, Nitriles, and H2 by Heterogeneous Pt Catalysts
Authors: Siddiki S. M. A. H. , Touchy Abeda S. , Bhosale Ashvini , Toyao Takashi , Mahara Yuji , Ohyama Junya , Satsuma Atsushi , Shimizu Ken‐ichi 
Published: September 2017

AbstractWe report herein the first general catalytic system for the direct synthesis of N‐substituted γ‐ and δ‐lactams by reductive amination/cyclization of keto acids (including levulinic acid) with nitriles and H2 under mild conditions (7 bar H2, 110 °C, solvent free). The most effective catalyst, Pt and MoOx co‐loaded TiO2 (Pt‐MoOx/TiO2), shows a wide substrate scope, high turnover number (TON), and good reusability.
Optimization of a Micromixer with Two‐Layer Serpentine Crossing Channels at Multiple Reynolds Numbers
Authors: Hossain Shakhawat , Kim Kwang-Yong 
Published: September 2017

AbstractMultiobjective optimizations of a micromixer with two‐layer serpentine crossing channels were performed at two different Reynolds numbers by using a multiobjective genetic algorithm and surrogate modeling based on a Navier‐Stokes analysis. The optimizations included three dimensionless design variables, namely, ratios of the diagonal channel width to the pitch length, the main channel width to the pitch length, and the channel depth to the pitch length. The design space was confirmed by a parametric study, and the Latin hypercube sampling technique was used to select design points within the design space. The Kriging meta‐model was applied for surrogate modeling of the objective functions. Concave Pareto‐optimal fronts representing the trade‐offs between the objective functions were obtained through the optimizations.
Modulation of Ribozyme and Deoxyribozyme Activities Using Tetraalkylammonium Ions
Authors: Nakano Shu‐ichi , Watabe Takaaki , Sugimoto Naoki 
Published: September 2017

AbstractNucleic acid enzymes require specific metal ions to be catalytically active. The functions of the metal ions having structural and catalytic roles are affected by competing cations. Large‐sized tetraalkylammonium ions have a propensity to preferentially bind to single strands of RNA and DNA. Here, the large cations are used in the reactions of lead‐dependent ribozyme and 17E deoxyribozyme that require divalent metal ions to cleave a nucleic acid substrate. Kinetic analysis shows that tetraalkylammonium ions influence the rate of substrate cleavage, and the effects are different depending on the nucleic acid enzymes and metal ions used. Importantly, the large cations used here increase the dependence of cleavage rates on metal ion concentration and enhance the ability of the enzyme to monitor changes in metal ion concentrations. The same effect is also observed for the metal ion concentration dependence of the thermal stability of RNA and DNA structures, indicating that the large cations affect the binding of structural metal ions. The use of large tetraalkylammonium ions provides new ways to study the importance of metal ions to nucleic acid enzymes, and also to modulate the functionality of nucleic acid enzymes.
Catalytic Ionic‐Liquid Membranes: The Convergence of Ionic‐Liquid Catalysis and Ionic‐Liquid Membrane Separation Technologies
Authors: Izák Pavel , Bobbink Felix D. , Hulla Martin , Klepic Martina , Friess Karel , Hovorka Štěpán , Dyson Paul J. 
Published: September 2017

AbstractMembrane technologies enable the facile separation of complex mixtures of gases, vapours, liquids and/or solids under mild conditions. Simultaneous chemical transformations can also be achieved in membranes by using catalytically active membrane materials or embedded catalysts, in so‐called membrane reactors. A particular class of membranes containing or composed of ionic liquids (ILs) or polymeric ionic liquids (pILs) have recently emerged. These membranes often exhibit superior transport and separation properties to those of classical polymeric membranes. ILs and pILs have also been extensively studied as separation solvents, catalysts and co‐catalysts in similar applications for which membranes are employed. In this review, after introducing ILs and their applications in catalysis, catalytic membranes and recent advances in membrane separation processes based on ILs are described. Finally, the nascent concept of catalytic IL membranes is highlighted, in which catalytically active ILs/pILs are incorporated into membrane technologies to act as a catalytic separation layer.
Discovery of Open Cubane Core Structures for Biomimetic LnCo3(OR)4 Water Oxidation Catalysts
Authors: Schilling Mauro , Hodel Florian H. , Luber Sandra 
Published: September 2017

AbstractBio‐mimetic catalysts such as LnCo3(OR)4 (Ln=Er, Tm; OR=alkoxide) cubanes have recently been in the focus of research for artificial water oxidation processes. Previously, the remarkable adaptability with respect to ligand shell, nuclear structure as well as protonation and oxidation states of those catalysts has been shown to be beneficial for the water oxidation process. We further explored the structural flexibility of those catalysts and present here a series of novel structures in which one metal center is pulled out of the cubane cage. This leads to an open cubane core, which is to some extent reminiscent of observed open/closed cubane‐core forms of the oxygen‐evolving complex in nature's photosystem II. We investigate how those open cubane core models alter the thermodynamics of the water oxidation cycle and how different solvation approaches influence their stability.