bluuebunny/crossref_metadata_2025_split huggingface dataset:
Beyond outcomes: How regulatory focus motivates consumer goal pursuit processes
Authors: Higgins E. Tory , Nakkawita Emily , Cornwell James F. M. 
Published: August 2019

AbstractThis article reviews the current state of the regulatory focus literature as it relates to consumer behavior, with a special emphasis on the goal pursuit processes that naturally align with the promotion and prevention systems. Because most research on such processes has taken place within the framework of regulatory fit theory, we highlight regulatory fit findings. We also suggest practical implications of these goal pursuit processes for marketing and branding. We then shift our attention to the standards that people use to evaluate their goal pursuit processes and examine how these standards and their use might differ with respect to regulatory focus. Finally, we share a new line of work on regulatory focus‐specific goal pursuit processes and describe avenues for future research.
The effects of a compressive velocity pulse on a collapsing turbulent clump
Authors: Arreaga‐García Guillermo 
Published: August 2019

AbstractHigh‐resolution hydrodynamical simulations are presented to follow the gravitational collapse of a uniform turbulent clump, upon which a purely radial compressive velocity pulse is activated in the midst of the evolution of the clump, when its turbulent state has been fully developed. The shape of the velocity pulse is determined basically by two free parameters: the velocity V0 and the initial radial position r0. In the present paper, models are considered in which the velocity V0 takes the values 2, 5, 10, 20, and 50 times the speed of sound of the clump c0, while r0 is fixed for all the models. The collapse of the model with 2 c0 goes faster as a consequence of the velocity pulse, while the cluster formed in the central region of the isolated clump mainly stays the same. In the models with greater velocity V0, the evolution of the isolated clump has significantly changed, so a dense shell of gas forms around r0 and moves radially inward. The radial profile of the density and velocity and the mass contained in the dense shell of gas are calculated, and it is found that (a) the higher the velocity V0, the less mass is contained in the shell, and (b) there is a critical velocity of the pulse, around 10 c0, such that, for shock models with a lower velocity, there will be a well‐defined dense central region in the shocked clump surrounded by the shell.
Docosahexaenoic acid and hydroxytyrosol co‐administration fully prevents liver steatosis and related parameters in mice subjected to high‐fat diet: A molecular approach
Authors: Soto‐Alarcón Sandra A. , Ortiz Macarena , Orellana Paula , Echeverría Francisca , Bustamante Andrés , Espinosa Alejandra , Illesca Paola , Gonzalez‐Mañán Daniel , Valenzuela Rodrigo , Videla Luis A. 
Published: August 2019

AbstractAttenuation of high‐fat diet (HFD)‐induced liver steatosis is accomplished by different nutritional interventions. Considering that the n‐3 PUFA docosahexaenoic acid (DHA) modulates lipid metabolism and the antioxidant hydroxytyrosol (HT) diminishes oxidative stress underlying fatty liver, it is hypothesized that HFD‐induced steatosis is suppressed by DHA and HT co‐administration. Male C57BL/6J mice were fed a control diet (CD; 10% fat, 20% protein, 70% carbohydrates) or a HFD (60% fat, 20% protein, 20% carbohydrates) for 12 weeks, without and with supplementation of DHA (50 mg/kg/day), HT (5 mg/kg/day) or both. The combined DHA + HT protocol fully prevented liver steatosis and the concomitant pro‐inflammatory state induced by HFD, with suppression of lipogenic and oxidative stress signaling, recovery of fatty acid oxidation capacity and enhancement in resolvin availability affording higher inflammation resolution capability. Abrogation of HFD‐induced hepatic steatosis by DHA and HT co‐administration represents a crucial therapeutic strategy eluding disease progression into stages lacking efficacious handling at present time.
Bioactive glass functionalized chondroitin sulfate hydrogel with proangiogenic properties
Authors: Zhang Feng‐Miao , Zhou Lei , Zhou Zheng‐Nan , Dai Cong , Fan Lei , Li Chang‐Hao , Xiao Cai‐Rong , Ning Cheng‐Yun , Liu Yi , Du Jian‐Qiang , Tan Guo‐Xin 
Published: August 2019

AbstractBlood vessels play an important role in bone defect repair and growth, and a critical challenge of bone defect repair is the promotion of blood vessel formation. Most of the current methods promote vascularization by adding specific growth factors, which are costly and easy to inactivate. In this study, we developed a covalently cross‐linked aminated bioactive glass nanoparticle‐chondroitin sulfate methacrylate (ABGN‐CSMA) organic‐inorganic composite hydrogel with angiogenic properties. The amino groups of the ABGNs form covalent bonds with the carboxyl groups on CSMA. Surface amination modification of BGNs not only improved the dispersion of BGNs in CSMA but also significantly improved the mechanical properties of the composite hydrogel. The largest storage modulus (1200 Pa), the largest loss modulus (560 Pa) and the strongest resistance to deformation of the hydrogel are seen at 10% concentration of ABGNs. Simultaneously, the local pH stability and sustained ion release of the composite hydrogel are conducive to cell adhesion, proliferation, and angiogenesis. This work provides evidence for the development of covalently cross‐linked organic‐inorganic composite hydrogels with angiogenic properties.
Urgent mechanical circulatory support and transcatheter mitral valve repair for refractory hemodynamic compromise
Authors: Rizik David G. , Burke Robert F. , Goldstein James A. 
Published: August 2019

AbstractPatients presenting with hemodynamic instability attributable to left ventricular systolic dysfunction and concomitant severe mitral regurgitation (MR) are increasingly recognized and pose complex management challenges. Surgical therapy is typically precluded owing to prohibitive mortality. The role of percutaneous mechanical circulatory support in such cases is well established; however, such interventions may be neither sufficient to achieve optimal stability nor prove definitive. The advent of novel catheter‐based mitral repair modalities now offers primary decisive therapeutic intervention. Three cases of cardiogenic shock with severe MR illustrate the salutary hemodynamic and clinical responses to percutaneous mechanical support and valve repair by mitral clip.
Development of a High‐Pressure Reactor Based on Liquid‐Flow Pressurisation to Facilitate Enzymatic Hydroxylation of Gaseous Alkanes
Authors: Ariyasu Shinya , Kodama Yusaku , Kasai Chie , Cong Zhiqi , Stanfield Joshua Kyle , Aiba Yuichiro , Watanabe Yoshihito , Shoji Osami 
Published: August 2019

AbstractA new type of high‐pressure reactor based on liquid‐flow pressurisation using a HPLC pump has been developed. This high‐pressure reactor allows the easy and safe performance of reactions with gaseous alkanes under high‐pressures up to 10 MPa (100 atm), without the need for high‐pressure gas cylinders. The amount of substrate gas required for a single reaction is very small compared with reactions using a conventional autoclave, which, when using expensive substrate gasses, such as 13C‐labelled ethane, becomes critical. Employing this high‐pressure reactor in conjunction with cytochrome P450BM3 and the assistance of decoy molecules, the direct hydroxylation of gaseous alkanes was drastically improved. At 5 MPa the TOF of propane hydroxylation increased 10‐fold, reaching 2200 min−1. Hydroxylation of ethane was also substantially accelerated at 5 MPa, reaching a TOF of 28 min−1.
Facet‐Dependent Activity of Co3O4 Catalyst for C3H8 Combustion
Authors: Yao Junxuan , Shi Hui , Sun Dekui , Lu Huaiqian , Hou Bo , Jia Litao , Xiao Yong , Li Debao 
Published: August 2019

AbstractClarifying the facet‐dependent activity of Co3O4 towards C3H8 combustion is of great importance to have a deep understanding of reaction mechanism and develop highly active Co3O4 based catalysts for light hydrocarbon combustion. In this work, four different Co3O4 nanocatalysts which dominantly exposed {100}, {111}, {110} and {112} facets, respectively, were synthesized via hydrothermal method and further tested in C3H8 combustion. The catalytic activity of different crystal planes varied as the order of {111}>{100}>{110}>{112}. The Co3O4 catalyst with {111} facets exhibited the best catalytic performance with T50 and T90 as low as 209 and 239 °C, respectively. DRIFT and DFT calculations revealed that the facile activation of C−H bond on Co3O4 {111} planes is responsible for the high activity. Moreover, the higher activity of lattice oxygens and easy activation of gas phase oxygen could also contribute to the excellent catalytic performance.
Chemoenzymatic Synthesis of O‐Containing Heterocycles from α‐Diazo Esters
Authors: Mittmann Esther , Hu Yuling , Peschke Theo , Rabe Kersten S. , Niemeyer Christof M. , Bräse Stefan 
Published: August 2019

AbstractThe synergy of biocatalysis and transition metal catalysis is rapidly moving forward, providing increasingly effective workflows in chemical synthesis. Here we present a facile way to prepare synthetically challenging O‐containing heterocycles bearing disubstituted stereogenic centers via catalytic chemoenzymatic transformation of α‐diazo carbonyl compounds. We demonstrate that keto‐α‐diazoesters can be enzymatically reduced to the corresponding alcohols with exquisite enantioselectivity and under retention of the diazo group using the ketoreductases LbADH and Gre2p. To further functionalize the resulting enantiopure (R)‐ and (S)‐hydroxyl α‐diazo esters, a variety of Cu and Rh catalysts were screened for intramolecular ring closure. Six‐ and seven‐membered rings with both, aliphatic and ester substituents, were obtained with up to 93 : 7 diastereomeric ratio and 81 % yield. Up to 98 % enantiomeric excess was obtained for both diastereomers, yielding the thermodynamically less favored α,ω‐trans‐oxepanes as the main products.
Mosaic Red Phosphorus/MoS2 Hybrid as an Anode to Boost Potassium‐Ion Storage
Authors: Gao Yuqing , Ru Qiang , Liu Yang , Cheng Shikun , Wei Li , Ling Francis Chi‐Chung , Chen Fuming , Hou Xianhua 
Published: August 2019

AbstractLow‐cost, non‐toxic, and abundant red phosphorus (RP) with high gravimetric discharge/charge capacity has been recognized as a promising anode candidate for potassium‐ion batteries (KIBs). However, the large volumetric change, severe agglomeration, and rapid capacity attenuation during discharge/charge cycles are major obstacles for practical applications in potassium‐ion storage. In order to eliminate such intrinsic deficiencies, a mosaic RP/MoS2 hybrid is designed and prepared by using a simple ball‐milling method and subsequently used as an anode for KIBs. The hybrid with a certain ratio of 2 : 1 can achieve a sustainable K+ storage capability (246.6/239.6 mAh g−1 for 100 cycles at 50 mA g−1), considerable long‐cycle performance (120.5/118.0 mAh g−1 at 1000 mA g−1 after 500 cycles), and good rate capability. The cycling performance is attributed to a pseudocapacitive effect, controllable interlayer spacing of MoS2, and enhanced conductivity. In view of the scalable synthesis process and considerable cycling durability, the RP/MoS2 hybrid may shed light on the rational design of novel anode alternatives for KIBs.
Distibanes and Distibenes from Reduction of Sb(NONR)Cl by using MgIReagents
Authors: Schwamm Ryan J. , Coles Martyn P. 
Published: August 2019

AbstractThe bis(amidodimethyl)disiloxane antimony chlorides Sb(NONR)Cl (NONR=[O(SiMe2NR)2]2−; R=tBu, Ph, 2,6‐Me2C6H3=Dmp, 2,6‐iPr2C6H3=Dipp, 2,6‐(CHPh2)2‐4‐tBuC6H2=tBu‐Bhp) are reduced to SbIIand SbIspecies by using MgIreagents, [Mg(BDIR′)]2(BDI=[HC{C(Me)NR′}2]−; R′=2,4,6‐Me3C6H2=Mes, Dipp). Stoichiometric reactions with Sb(NONR)Cl (R=tBu, Ph) form dimeric SbIIstibanes [Sb(NONR)]2, shown crystallographically to contain Sb−Sb single bonds. The analogous distibane with R=Dmp substituents has an exceptionally long Sb−Sb interaction and exhibits spectroscopic and reactivity properties consistent with radical character in solution. When R=Dipp, reductions with MgIreagents directly give distibenes [Sb(μ‐NONDipp)Mg(BDIR′)(THF)n]2(R′=Mes,n=1; R′=Dipp,n=0). Crystallographic analysis shows atrans‐substitution of the Sb=Sb double bond, with bridging NONDipp‐ligands between the SbIand MgIIcentres. An attempt to access the NONPh‐analogue using the same protocol afforded the polystibide cluster Sb8[μ4,η2:2:2:2‐Mg(BDIMes)]4, which co‐crystallized with the ligand transfer product, [Mg(BDIMes)]2(μ‐NONPh).
Synthesis and Application of Ruthenium(II) Alkenyl Complexes with Perylene Fluorophores for the Detection of Toxic Vapours and Gases
Authors: García‐Calvo José , Robson Jonathan A. , Torroba Tomás , Wilton‐Ely James D. E. T. 
Published: August 2019

AbstractA series of new ruthenium(II) vinyl complexes has been prepared incorporating perylenemonoimide (PMI) units. This fluorogenic moiety was functionalised with terminal alkyne or pyridyl groups, allowing attachment to the metal either as a vinyl ligand or through the pyridyl nitrogen. The inherent low solubility of the perylene compounds was improved through the design of poly‐PEGylated (PEG=polyethylene glycol) units bearing a terminal alkyne or a pyridyl group. By absorbing the compounds on silica, vapours and gases could be detected in the solid state. The reaction of the complexes [Ru(CH=CH‐PerIm)Cl(CO)(py‐3PEG)(PPh3)2] and [Ru(CH=CH‐3PEG)Cl(CO)(py‐PerIm)(PPh3)2] with carbon monoxide, isonitrile or cyanide was found to result in modulation of the fluorescence behaviour. The complexes were observed to display solvatochromic effects and the interaction of the complexes with a wide range of other species was also studied. The study suggests that such complexes have potential for the detection of gases or vapours that are toxic to humans.
π‐Hole Interactions Involving Nitro Aromatic Ligands in Protein Structures
Authors: Bauzá Antonio , Frontera Antonio , Mooibroek Tiddo Jonathan 
Published: August 2019

AbstractStudying noncanonical intermolecular interactions between a ligand and a protein constitutes an emerging research field. Identifying synthetically accessible molecular fragments that can engage in intermolecular interactions is a key objective in this area. Here, it is shown that so‐called “π‐hole interactions” are present between the nitro moiety in nitro aromatic ligands and lone pairs within protein structures (water and protein carbonyls and sulfurs). Ample structural evidence was found in a PDB analysis and computations reveal interaction energies of about −5 kcal mol−1 for ligand–protein π‐hole interactions. Several examples are highlighted for which a π‐hole interaction is implicated in the superior binding affinity or inhibition of a nitro aromatic ligand versus a similar non‐nitro analogue. The discovery that π‐hole interactions with nitro aromatics are significant within protein structures parallels the finding that halogen bonds are biologically relevant. This has implications for the interpretation of ligand–protein complexation phenomena, for example, involving the more than 50 approved drugs that contain a nitro aromatic moiety.
Light‐Mediated Formal Radical Deoxyfluorination of Tertiary Alcohols through Selective Single‐Electron Oxidation with TEDA2+.
Authors: Aguilar Troyano Francisco José , Ballaschk Frederic , Jaschinski Marcel , Özkaya Yasemin , Gómez‐Suárez Adrián 
Published: August 2019

AbstractThe synthesis of tertiary alkyl fluorides through a formal radical deoxyfluorination process is described herein. This light‐mediated, catalyst‐free methodology is fast and broadly applicable allowing for the preparation of C−F bonds from (hetero)benzylic, propargylic, and non‐activated tertiary alcohol derivatives. Preliminary mechanistic studies support that the key step of the reaction is the single‐electron oxidation of cesium oxalates—which are readily available from the corresponding tertiary alcohols—with in situ generated TEDA2+. (TEDA: N‐(chloromethyl)triethylenediamine), a radical cation derived from Selectfluor®.
Multiscale modelling of mass transfer in gas jets and bubble plumes
Authors: O'Malley Devin J. , Haelssig Jan B. 
Published: August 2019

AbstractThe injection of high‐speed gas streams into liquids is common in many industrial applications, such as sparging in multiphase reactors and contacting in mass transfer devices. Modelling the fluid dynamics and associated heat and mass transfer processes in such a system is complex because it involves many governing scales and drastic changes in physical properties. In this study, one formulation of a multiscale computational fluid dynamics model is proposed to simulate the fluid dynamics and mass transfer in such systems. The model uses volume‐of‐fluid interface capturing in regions where high mesh resolution can be attained and the drift‐flux or mixture model approximation in regions where mesh resolution is too low to directly resolve interface dynamics. The model was developed to provide a tunable, automatic transition between the two modelling approaches for both fluid dynamics and mass transfer predictions. The approach was validated through a comparison with results from two published studies. In the first case, the implementation of the drift‐flux model was validated through the simulation of a dispersed gas bubble plume injected into a cylindrical tank. In the second case, the fluid dynamics and mass transfer predictions were compared to results from an experimental study involving the horizontal injection of air into a rectangular tank filled with water for the application of aeration. The results show that the modelling approach can provide a good prediction of the experimental data using only limited fitting of empirical parameters, making it applicable to a broad range of other applications.
Integrated Target‐Based and Phenotypic Screening Approaches for the Identification of Anti‐Tubercular Agents That Bind to the Mycobacterial Adenylating Enzyme MbtA
Authors: Ferguson Lindsay , Wells Geoff , Bhakta Sanjib , Johnson James , Guzman Junitta , Parish Tanya , Prentice Robin A. , Brucoli Federico 
Published: August 2019

AbstractIron is essential for the pathogenicity and virulence of Mycobacterium tuberculosis, which synthesises salicyl‐capped siderophores (mycobactins) to acquire this element from the host. MbtA is the adenylating enzyme that catalyses the initial reaction of mycobactin biosynthesis and is solely expressed by mycobacteria. A 3200‐member library comprised of lead‐like, structurally diverse compounds was screened against M. tuberculosis for whole‐cell inhibitory activity. A set of 846 compounds that inhibited the tubercle bacilli growth were then tested for their ability to bind to MbtA using a fluorescence‐based thermal shift assay and NMR‐based Water‐LOGSY and saturation transfer difference (STD) experiments. We identified an attractive hit molecule, 5‐hydroxyindol‐3‐ethylamino‐(2‐nitro‐4‐trifluoromethyl)benzene (5), that bound with high affinity to MbtA and produced a MIC90 value of 13 μm. The ligand was docked into the MbtA crystal structure and displayed an excellent fit within the MbtA active pocket, adopting a binding mode different from that of the established MbtA inhibitor Sal‐AMS.
Development and validation of an individualized risk prediction model for oropharynx cancer in the US population
Authors: Tota Joseph E. , Gillison Maura L. , Katki Hormuzd A. , Kahle Lisa , Pickard Robert K. , Xiao Weihong , Jiang Bo , Graubard Barry I. , Chaturvedi Anil K. 
Published: August 2019

BackgroundThe incidence of oropharynx cancers has increased substantially in the United States. However, risk stratification tools for the identification of high‐risk individuals do not exist. In this study, an individualized risk prediction model was developed and validated for oropharynx cancers in the US population.MethodsA synthetic, US population–based case‐control study was conducted. Oropharynx cancer cases diagnosed at Ohio State University (n = 241) were propensity‐weighted to represent oropharynx cancers occurring annually in the United States during 2009‐2014 (n = 12,656). Controls (n = 9327) included participants in the National Health and Nutrition Examination Survey (2009‐2014) and represented the annual US population aged 30 to 69 years (n = 154,532,508). The individualized 1‐year absolute risk of oropharynx cancer was estimated with weighted logistic regression.ResultsThe risk prediction model included age, sex, race, smoking, alcohol use, lifetime sexual partners, and oral oncogenic human papillomavirus (HPV) status. The model had good discrimination and calibration in split‐sample validation (area under the curve [AUC], 0.94; 95% confidence interval [CI], 0.92‐0.97; observed/expected [O/E], 1.01; 95% CI, 0.70‐1.32) and external validation (AUC, 0.87; 95% CI, 0.84‐0.90; O/E, 1.08; 95% CI, 0.77‐1.39). In the US population, 1‐year predicted risks of oropharynx cancer were highest for older individuals (21.1/100,000 for 65‐ to 69‐year‐olds), men (13.9/100,000), whites (10.4/100,000), smokers (18.0/100,000 for >20 pack‐years), heavy alcohol users (18.4/100,000), and those with prevalent oral oncogenic HPV (140.4/100,000). The risk prediction model provided substantial risk stratification, with approximately 77% of all oropharynx cancers and approximately 99% of HPV‐positive oropharynx cancers occurring in the 10% of the US population with the highest model‐predicted risk.ConclusionsThis risk prediction model will enable the efficient design of studies to address the outstanding questions pertaining to the natural history, screening, and secondary prevention of oropharynx cancers.
Agrin plays a major role in the coalescence of the aquaporin‐4 clusters induced by gamma‐1‐containing laminin
Authors: Noël Geoffroy , Tham Daniel Kai Long , MacVicar Brian A. , Moukhles Hakima 
Published: August 2019

AbstractThe basement membrane that seperates the endothelial cells and astrocytic endfeet that comprise the blood–brain barrier is rich in collagen, laminin, agrin, and perlecan. Previous studies have demonstrated that the proper recruitment of the water‐permeable channel aquaporin‐4 (AQP4) to astrocytic endfeet is dependent on interactions between laminin and the receptor dystroglycan. In this study, we conducted a deeper investigation into how the basement membrane might further regulate the expression, localization, and function of AQP4, using primary astrocytes as a model system. We found that treating these cells with laminin causes endogenous agrin to localize to the cell surface, where it co‐clusters with β‐dystroglycan (β‐DG). Conversely, agrin sliencing profoundly disrupts β‐DG clustering. As in the case of laminin111, Matrigel™, a complete basement membrane analog, also causes the clustering of AQP4 and β‐DG. This clustering, whether induced by laminin111 or Matrigel™ is inhibited when the astrocytes are first incubated with an antibody against the γ1 subunit of laminin, suggesting that the latter is crucial to the process. Finally, we showed that laminin111 appears to negatively regulate AQP4‐mediated water transport in astrocytes, suppressing the cell swelling that occurs following a hypoosmotic challenge. This suppression is abolished if DG expression is silenced, again demonstrating the central role of this receptor in relaying the effects of laminin.