bluuebunny/crossref_metadata_2025 huggingface dataset:
How Mobile In‐Store Advertising Influences Purchase Intention: Value Drivers and Mediating Effects from a Consumer Perspective
Authors: Bues Mirja , Steiner Michael , Stafflage Marcel , Krafft Manfred
Published: January 2017

Mobile in‐store advertising is becoming increasingly important, as it offers new options for retailers to communicate with customers at the point of sale. This study investigates how mobile in‐store advertising should be designed in order to be most effective. The authors identify three value drivers (price promotion, location, and personalization) and examine their effect on customers’ purchase intention. The influence of the three value drivers was tested in a large‐scale representative study with a laboratory experimental design. The findings indicate that all three value drivers increase purchase intention. Surprisingly, the authors find that price promotions are the least important value driver, whereas the location of receiving a mobile ad is the strongest driver of purchase intention. An interaction effect between location and personalization was also found to be significant. Personalization close to the product has little impact on purchase intention. The findings have important implications for researchers and retail managers, particularly when designing mobile in‐store advertising campaigns.
Technical Note: A safe, cheap, and easy‐to‐use isotropic diffusion MRI phantom for clinical and multicenter studies
Authors: Pullens Pim , Bladt Piet , Sijbers Jan , Maas Andrew I.R. , Parizel Paul M.
Published: January 2017

Purpose

Since Diffusion Weighted Imaging (DWI) data acquisition and processing are not standardized, substantial differences in DWI derived measures such as Apparent Diffusion Coefficient (ADC) may arise which are related to the acquisition or MRI processing method, but not to the sample under study. Quality assurance using a standardized test object, or phantom, is a key factor in standardizing DWI across scanners.

Methods

Current diffusion phantoms are either complex to use, not available in larger quantities, contain substances unwanted in a clinical environment, or are expensive. A diffusion phantom based on a polyvinylpyrrolidone (PVP) solution, together with a phantom holder, is presented and compared to existing diffusion phantoms for use in clinical DWI scans. An ADC vs. temperature calibration curve was obtained.

Results

ADC of the phantom (808 to 857 ± 0.2 mm2/s) is in the same range as ADC values found in brain tissue. ADC measurements are highly reproducible across time with an intra‐class correlation coefficient of > 0.8. ADC as function of temperature (in Kelvin) can be estimated as with a total uncertainty (95% confidence limit) of ± 1.7%.

Conclusion

We present an isotropic diffusion MRI phantom, together with its temperature calibration curve, that is easy‐to‐use in a clinical environment, cost‐effective, reproducible to produce, and that contains no harmful substances.
Numerical modelling of microscopic lubricant flow in sheet metal forming. Application to plane strip drawing
Authors: Carretta Y. , Boman R. , Bech J. , Legrand N. , Laugier M. , Ponthot J.‐P.
Published: January 2017

This paper presents a numerical investigation of microscopic lubricant flows from the cavities to the plateaus of the surface roughness of metal sheets during forming processes. This phenomenon, called micro‐plasto‐hydrodynamic lubrication, was observed experimentally in various situations such as compression sliding tests, strip drawing and cold rolling. It leads to local friction drop and wear reduction. It is therefore critical to achieve a good understanding of this phenomenon. As to move towards that goal, a multiscale fluid–structure interaction model is developed to model lubricant flows at the microscopic scale. These simulations are made possible through the use of the Arbitrary Lagrangian Eulerian (ALE) formalism. In this paper, this methodology is used to study plane strip drawing. The numerical model is able to predict the onset of lubricant escape and the amount of lubricant flowing on the plateaus. Numerical results exhibit good agreement with experimental measurements. Copyright © 2017 John Wiley & Sons, Ltd.
ADHD medications and cardiovascular adverse events in children and adolescents: cross‐national comparison of risk communication in drug labeling
Authors: Sieluk Jan , Palasik Brittany , dosReis Susan , Doshi Peter
Published: January 2017

Purpose

Regulators approve written medical information for healthcare professionals and consumers, but the consistency of these sources has not been studied. We investigated the consistency of information regarding four cardiovascular risks of attention‐deficit/hyperactivity disorder (ADHD) medications approved in four countries.

Methods

Professional and consumer product labeling for five ADHD medications approved in Australia, Canada, the UK, and the USA were obtained in March/April 2016. Language describing the relationship between medication and elevated blood pressure and/or heart rate, myocardial infarction, stroke, and sudden death was extracted verbatim and classified into one of four categories based on the described relationship between medication and adverse event: “confirmed,” “unconfirmed,” “mixed,” and “not mentioned.” We judged the consistency of messages delivered to healthcare professionals and consumers as either “consistent” or “inconsistent.”

Results

We obtained 20 healthcare professional labels and 20 corresponding consumer labels for the five ADHD medications registered in all four countries. Not all professional and consumer labeling contained language regarding all four adverse events. Of the 80 theoretically evaluable drug‐risk pairs, 38 (48%) were not evaluable because of absence of mention of the adverse event in the consumer label. For the remaining 42, the potential causal relationship was expressed consistently in professional and consumer labeling in 25 (60%) cases. The cardiovascular risk profile was not described consistently across all four countries for any of the five drugs.

Conclusions

Product labeling provides healthcare professionals and consumers with inconsistent messages regarding the potential causal relationship between stimulant use and specific cardiovascular risks in children and adolescents. Copyright © 2017 John Wiley & Sons, Ltd.
Temperature influence on the behavior of polysulfone‐b‐poly(alkylene oxide)‐b‐poly(dimethylsiloxane) triblock copolymers in a selective solvent
Authors: Bercea Maria , Airinei Anton , Hamciuc Viorica
Published: January 2017

Triblock copolymers containing polysulfone, poly(alkylene oxide), and poly(dimethylsiloxane) segments were obtained by addition of preformed α,ω‐bis(hydrogensilyl) poly(dimethylsiloxane) oligomers to alyl end‐capped poly(alkylene oxide)‐b‐polysulfone. Viscometric and UV absorption measurements were carried out in dilute 1,2‐dichlorethane solutions, in the temperature range of 20–75°C. The specific interactions exhibited by the block copolymers in a selective solvent are influenced by the copolymer composition and temperature. The results point to a conformational transition phenomenon, located around 55°C, which is attributed to the transition from a segregated to a pseudo‐Gaussian conformation through a compressed‐segregated conformation. POLYM. ENG. SCI., 57:114–118, 2017. © 2016 Society of Plastics Engineers
Using Response Surface Analysis to Interpret the Impact of Parent–Offspring Personality Similarity on Adolescent Externalizing Problems
Authors: Franken Aart , Laceulle Odillia M. , Van Aken Marcel A.G. , Ormel Johan
Published: January 2017

Personality similarity between parent and offspring has been suggested to play an important role in offspring's development of externalizing problems. Nonetheless, much remains unknown regarding the nature of this association. This study aimed to investigate the effects of parent–offspring similarity at different levels of personality traits, comparing expectations based on evolutionary and goodness–of–fit perspectives. Two waves of data from the TRAILS study ( N = 1587, 53% girls) were used to study parent–offspring similarity at different levels of personality traits at age 16 predicting externalizing problems at age 19. Polynomial regression analyses and Response Surface Analyses were used to disentangle effects of different levels and combinations of parents and offspring personality similarity. Although several facets of the offspring's personality had an impact on offspring's externalizing problems, few similarity effects were found. Therefore, there is little support for assumptions based on either an evolutionary or a goodness–of–fit perspective. Instead, our findings point in the direction that offspring personality, and at similar levels also parent personality might impact the development of externalizing problems during late adolescence. © 2017 The Authors. European Journal of Personality published by John Wiley & Sons Ltd on behalf of European Association of Personality Psychology
Cover Image, Volume 66, Issue 2
Authors: Tran‐Cong‐Miyata Qui
Published: January 2017

The cover image, a 3D stationary salami structure of a green/red/black ternary polymer blend and the separated red and green continuous structure, is by QUI TRAN‐CONG‐MIYATA, based on the Editorial In Focus section: Polymer Research at KIT, Japan, DOI: 10.1002/pi.5248.

image
A theoretical assignment on excited‐state intramolecular proton transfer mechanism for quercetin
Authors: Yang Dapeng , Yang Guang , Zhao Jinfeng , Zheng Rui , Wang Yusheng , Lv Jian
Published: January 2017

In the present work, we investigate a new chromophore (ie, quercetin) (Simkovitch et al J Phys Chem B 119 [2015] 10244) about its complex excited‐state intramolecular proton transfer (ESIPT) process based on density functional theory and time‐dependent density functional theory methods. On the basis of the calculation of electron densityρ(r) and Laplacian ∇2ρ(r) at the bond critical point using atoms‐in‐molecule theory, the intramolecular hydrogen bonds (O1‐H2⋯O5and O3‐H4⋯O5) have been supported to be formed in the S0state. Comparing the prime structural variations of quercetin involved in its 2 intramolecular hydrogen bonds, we find that these 2 hydrogen bonds should be strengthened in the S1state, which is a fundamental precondition for facilitating the ESIPT process. Concomitantly, infrared vibrational spectra analysis further verifies this viewpoint. In good agreement with previous experimental spectra results, we find that quercetin reveals 2 kinds of excited‐state structures (quercetin* and quercetin‐PT1*) in the S1state. Frontier molecular orbitals depict the nature of electronically excited state and support the ESIPT reaction. Our scanned potential energy curves according to variational O1‐H2and O3‐H4coordinates demonstrate that the proton transfer process should be more likely to occur in the S1state via hydrogen bond wire O1‐H2⋯O5rather than O3‐H4⋯O5because of the lower potential energy barrier 2.3 kcal/mol. Our present work explains previous experimental result and makes up the deficiency of mechanism in previous experiment. In the end, we make a reasonable assignment for ESIPT process of quercetin.
Planar Phase Separation of Weak Polyelectrolyte Brushes in Poor Solvent
Authors: Gao Kai , Kearney Logan T. , Howarter John A.
Published: January 2017

Poly(acrylic acid) (PAA) brushes were synthesized on silicon wafer substrates using a silane linker and Z‐group RAFT method, which enables the controlled variation of brush characteristics. Atomic force microscopy (AFM) was used to characterize the brush morphology in the dry state, which ranged from isolated globules to micelles to a continuous film featuring dimples. Surface morphology was primarily determined by total grafted polymer concentration with a critical polymer concentration between 4.5 and 6.5 × 10−23mol/nm2, where the polymer rich regions transition from micellar islands to a continuous film with dimples. However, even at the highest grafting densities and brush strand lengths used in this study, a flat homogenous film was not formed. Morphological consequences of the solvent and thermal history were shown to persist into poorly solvated state after being dried. X‐ray photoelectron spectroscopy (XPS) was used to quantify the degree of remaining salt after drying. It was found that a higher relative amount of salt was retained after drying in the lower grafting density samples. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017, 55, 370–377
Identification of potential protein quality markers in pathogen inactivated and gamma‐irradiated red cell concentrates
Authors: Chen Deborah , Schubert Peter , Devine Dana V.
Published: January 2017

Purpose

Post‐collection manipulations (PCMs) aim to increase blood product safety. However, PCMs improve safety at a cost to quality, causing elevated hemolysis. As hemolysis is linked to red blood cell membrane integrity, a quantitative proteomics approach was employed to assess membrane proteome alterations induced by PCMs.

Experimental design

Three ABO‐matched whole blood (WB) units were pooled‐and‐split into three identical units. One WB unit was treated with riboflavin/ultraviolet illumination prior to red cell concentrate (RCC) production (RCCWB*). Two WB units were produced into RCC; one was gamma‐irradiated (RCCγ) and the other was left untreated as control (RCCØ). In vitro quality parameters were measured during storage. Membrane protein profiles of RCCØ, RCCγ, and RCCWB* were assessed on selected hemoglobin‐depleted membrane fractions using a quantitative proteomics approach based on iTRAQ.

Results

Quantitative proteomic analysis identified 100 proteins at the membrane, with seven unique proteins exhibiting significant changes in RCCWB* at day 28 of storage. Membrane peroxiredoxin‐2, catalase, and proteasome levels demonstrated robust negative correlation with percentage hemolysis.

Conclusion

Overall, the in vitro parameters and alterations of membrane protein profiles indicated that pathogen inactivation treatment impacts RCC quality more severely than gamma‐irradiation and that it may induce damage through a predominately oxidative mechanism.
Stable boundary‐layer regimes at Dome C, Antarctica: observation and analysis
Authors: Vignon Etienne , van de Wiel Bas J. H. , van Hooijdonk Ivo G. S. , Genthon Christophe , van der Linden Steven J. A. , van Hooft J. Antoon , Baas Peter , Maurel William , Traullé Olivier , Casasanta Giampietro
Published: January 2017

Investigation of meteorological measurements along a 45 m tower at Dome C on the high East Antarctic Plateau revealed two distinct stable boundary layer (SBL) regimes at this location. The first regime is characterized by strong winds and continuous turbulence. It results in full vertical coupling of temperature, wind magnitude and wind direction in the SBL. The second regime is characterized by weak winds, associated with weak turbulent activity and very strong temperature inversions reaching up to 25 K in the lowest 10 m. Vertical temperature profiles are generally exponentially shaped (convex) in the first regime and ‘convex–concave–convex’ in the second.

The transition between the two regimes is particularly abrupt when looking at the near‐surface temperature inversion and it can be identified by a 10 m wind‐speed threshold. With winds under this threshold, the turbulent heat supply toward the surface becomes significantly lower than the net surface radiative cooling. The threshold value (including its range of uncertainty) appears to agree with recent theoretical predictions from the so‐called ‘minimum wind speed for sustainable turbulence’ (MWST) theory.

For the quasi‐steady, clear‐sky winter cases, the relation between the near‐surface inversion amplitude and the wind speed takes a characteristic ‘S’ shape. Closer analysis suggests that this relation corresponds to a ‘critical transition’ between a steady turbulent and a steady ‘radiative’ regime, with a dynamically unstable branch in the transition zone. These fascinating characteristics of the Antarctic boundary layer challenge present and future numerical models to represent this region in a physically correct manner.
Halogen bond versus hydrogen bond: The many‐body interactions approach
Authors: Domagała Małgorzata , Lutyńska Aneta , Palusiak Marcin
Published: January 2017

The analysis of interrelation between halogen bond and hydrogen bond in the (RX)(HNC)(HCN) complexes (R = CH3, CF3and X = Cl, Br, I) was performed on the basis of DFT calculations. Both two‐body additive contributions and three‐body nonadditive contributions to the total interaction energy were discussed. QTAIM was used for topological analysis of electron density. Additionally, QTAIM analysis of electron density was performed for both two‐ and three‐body complexes. The electron charge transfer in trimers showed the dual character of the fragment with halogen atom involved into the investigated interactions—it acts as Lewis acid and Lewis base, depending on the type of interaction considered. The effect of cooperativity of X‐ and H‐bonding was assessed on the basis of many‐body interaction energy and electron density analysis. Additionally, an alternative two‐body model with the same situation (in the context of intermolecular interactions) is investigated. The anti‐cooperative effect was found also for this model.
Roads, value, and dispossession in Baja California Sur, Mexico
Authors: Anderson Ryan
Published: January 2017

This article utilizes theories of value and space, along with Harvey's notion of “accumulation by dispossession,” to critically investigate the histories and social effects of the commodification of place on the East Cape of Baja California Sur, Mexico. The article defines value as the product of specific social relations and examines how places are created, valued, commodified, and co‐opted in the development process. The actual process of co‐optation, however, is highly contingent on the development of infrastructure, particularly roads, which play a vital yet ambivalent role in shaping how different people not only access but also value the East Cape.
Drivers and deterrents of entrepreneurial enterprise in the risk‐prone Global South
Authors: Lundy Brandon D. , Patterson Mark , O'Neill Alex
Published: January 2017

Through the case of Guinea‐Bissau, this article considers how small‐scale, often cross‐border entrepreneurs mitigate risk and establish resilient businesses able to cope with ongoing political and economic shocks. Nineteen interviews and 153 surveys were conducted over two months with business leaders and regulators within the commercial centers and markets of Guinea‐Bissau to assess entrepreneurial profiles and activities. Findings show that small‐scale private investment from the Global South is increasing. Through thematic analysis, 18 different drivers of foreign business and 23 impediments to foreign entrepreneurship and investment were identified within this risk‐prone environment. Limited assets imply limited opportunities, suggesting a need to mobilize all available resources to achieve entrepreneurial success. The implications of this research are that resiliency for these foreign investors has improved and risks are mitigated through established social capital that can be converted into financial capital, linked social–business networks across borders, microenvironmental knowledge, and maintaining relatively small businesses able to fly “under the radar.” In understanding foreign entrepreneurs' motives, the social and structural undergirding of South–South investment is exposed.
Don't mix Paxil, Viagra, and Xanax: What financiers' jokes say about inequality
Authors: Souleles Daniel
Published: January 2017

This article makes use of theories of humor and play to analyze a corpus of jokes private equity investors tell about the work that they do. Private equity investors, at the time of a field project I conducted from spring 2012 through summer 2014, managed about US$3.5 trillion in mostly other people's money, to buy and sell whole companies as investments. By just about any measure, they're wealthy and powerful (they have lots of resources and can make many other people do things). I suggest that analyzing private equity investors' jokes and laughter allows us a way to understand what they think about the wealth and power they cultivate and the inequality they enable. I further suggest that private equity investors, in many ways, are ambivalent about the justification for their social status. In turn, my analysis and observations offer a critique of too rigid theories about the nature of present social inequality.
Combining randomized and non‐randomized evidence in network meta‐analysis
Authors: Efthimiou Orestis , Mavridis Dimitris , Debray Thomas P. A. , Samara Myrto , Belger Mark , Siontis George C. M. , Leucht Stefan , Salanti Georgia ,   on behalf of GetReal Work Package 4
Published: January 2017

Non‐randomized studies aim to reveal whether or not interventions are effective in real‐life clinical practice, and there is a growing interest in including such evidence in the decision‐making process. We evaluate existing methodologies and present new approaches to using non‐randomized evidence in a network meta‐analysis of randomized controlled trials (RCTs) when the aim is to assess relative treatment effects. We first discuss how to assess compatibility between the two types of evidence. We then present and compare an array of alternative methods that allow the inclusion of non‐randomized studies in a network meta‐analysis of RCTs: the naïve data synthesis, the design‐adjusted synthesis, the use of non‐randomized evidence as prior information and the use of three‐level hierarchical models. We apply some of the methods in two previously published clinical examples comparing percutaneous interventions for the treatment of coronary in‐stent restenosis and antipsychotics in patients with schizophrenia. We discuss in depth the advantages and limitations of each method, and we conclude that the inclusion of real‐world evidence from non‐randomized studies has the potential to corroborate findings from RCTs, increase precision and enhance the decision‐making process. Copyright © 2017 John Wiley & Sons, Ltd.
One–pot Reaction for the Convenient Synthesis of Functionalized 2‐Oxaspiro[bicyclo[2.2.1]heptane‐2,3′‐indolines]
Authors: Sun Jing , Yang Mr. Ren‐Yin , Yan Chao‐Guo
Published: January 2017

An efficient synthetic protocol for functionalized 2‐oxaspiro[bicyclo[2.2.1]heptane‐2,3′‐indolines] was successfully developed by one‐pot two‐step reaction of phenacyl bromides, malononitrile and 3‐methyleneoxindolines in ethanol in the presence of triethylamine. On the other hand, the similar three‐component reaction of phenacyl bromides, ethyl cyanoacetate and 3‐methyleneoxindolines afforded functionalized spiro[cyclopentane‐1,3′‐indoline] derivatives.
Gel–based Controlled Synthesis of Silver Nanoparticles and Their Applications in Catalysis, Sensing and Environmental Remediation
Authors: Bala Sukhen , Mondal Raju
Published: January 2017

We report herein a novel gel‐based method of generating silver nanoparticles (AgNPs) for various applications. An unorthodox pyridyl‐pyrazole basedchelatinglow molecular mass gelator was used for controlled synthesis of multifunctional AgNPs. The resultant fiber networks of gel itself act as template for AgNPs formation when a threshold concentration of Ag salts is exceeded. It is noteworthy here that existence of such threshold condition for AgNP formation is strategically important but under explored. The as‐synthesized AgNPs exhibit efficient catalytic activity of the reduction of 4‐nitrophenol and Methylene blue.The as‐synthesized AgNPs shows highly selective sensing ability of toxic Hg2+ ion in ppm level. Furthermore, our system also offers a unique two‐in‐one environmental remediation through sequestration‐cum‐reduction of toxic hexavalent Cr.
Silver Patterned Supramolecular Liquid Crystalline Gels as Electrochemical Sensor of Tyrosine
Authors: K.Narayanan Rohini , Sadanandhan Neethu K. , Devaki Sudha J.
Published: January 2017

Here, we have prepared silver nanoparticle patterned functional liquid crystalline gels (SFLAG) through self‐assembly process. The surface plasmon energy of SFLAGs were observed at ∼ 420 nm and FCC lattices of silver particles were confirmed with XRD. Formation of liquid crystalline gel phase was studied by microscopic techniques and rheology. Enhancement in the conductance of SFLAG modified glassy carbon electrode (SFLAG/GCE) was studied with electrochemical impedance spectroscopy. Finally its application is demonstrated as an electrochemical sensor for the oxidation of tyrosine using electrochemical techniques such as cyclic voltammetry, differential pulse voltammetry and chronoamperometry with a high current response and lower detection limit (10 nM). Electrochemical sensor performances such as interference of various analytes, selectivity, repeatability, storage stability and the real sample analysis with human blood serum were performed. All these excellent properties of SFLAG/GCE can be exploited as an electrochemical sensor for the analytical detection of tyrosine which is a biomarker for the early detection of cancer.
Ion‐Dependent Modulation of Self‐Healing Hydrogels
Authors: Basak Shibaji , Singh Ishwar , Kraatz Heinz‐Bernhard
Published: January 2017

A peptide based gelator has been reported that forms supramolecular hydrogels in presence of divalent metal ions through metal‐ligand interaction. These hydrogels are multi‐stimuli responsive and self‐healing in nature. The rheology studies show that the mechanical strength and healing properties are highly dependent on metal ions and mechanical strength of these hydrogels could be tune by applying appropriate metal ions. It has been found that the mechanical and healing properties also depend on the counter anion used. Furthermore, the water suppression 1H NMR study in hydrogel state was performed to probe the hydrogen bonding interaction between gelator to gelator and gelator to water molecules in real‐time.
Ultrafast Vibrational Spectroscopy of Aqueous Solution of Methylamine from First Principles MD Simulations
Authors: Biswas Sohag , Mallik Bhabani S.
Published: January 2017

We performed Car‐Parrinello molecular dynamics (CPMD) simulations of deuterated aqueous solution of methylamine (MA) to investigate the structure, dynamics and time dependent vibrational spectra of water molecules in the first solvation shell. Our results show that the hydrogen bond of DOD…ND2 is the dominant interaction between ND2 and D2O as compared to the D2O…D2N. The hydrogen bond involving DOD…ND2 has longer lifetime (2.6 ps) than both D2O…D2N (1.1 ps) and water‐water hydrogen bonds. The residence time of water molecule inside the first solvation shell of ND2 is 5.72 ps. The vibrational spectral diffusion of water molecules in the first hydration shell of the amine nitrogen of methylamine proceeds with three time scales. A short‐time relaxation originates from dynamics of amine‐water hydrogen bonds without breaking (90 fs), and a slower relaxation (∼1.8 ps) is due to the breaking of amine‐water hydrogen bonds. Another longer time constant (∼7 ps) is due to the escape dynamics of water molecules from the first hydration shell of the amine group.
An Investigation of Interfacial and Photoelectrochemical Performance of Thermally Prepared C,N‐codoped TiO2 Photoanodes for Water Splitting
Authors: Venkatkarthick Radhakrishnan , Davidson Donald Jonas , Vasudevan Subramanyan , Sozhan Ganapathy , Ravichandran Subbiah
Published: January 2017

In the present study, C,N‐codoped TiO2 (C,N‐TiO2) thin film photoanodes are prepared by a thermal treatment of titanium substrates embedded in various materials such as aluminosilicates (zeolite) or alumina particles and heat treated at 5000 C for 3 h in a carbon contaminated muffle furnace. The prepared C,N‐codoped TiO2 photoanodes showed a significant water oxidation with the highest photo currents of about 100 μA cm−2 at zero bias versus (Ag/AgCl) using alumina as reactant medium under a standard 1 SUN illumination of solar simulator when compared to pure TiO2 (∼25μA cm−2) in 1 M KOH electrolyte. The C,N‐codoped TiO2 photoanode showed stable photocurrent for about 10 hours in the long term stability test. The physico‐chemical properties of the prepared C,N‐codoped TiO2 thin film sample was examined by Scanning electron microscopy, Energy dispersive X‐rays, X‐ray diffractions, X‐ray photoelectron spectroscopy, UV‐visible diffuse reflectance spectroscopy and electrochemical impedance measurements for light harvesting (photo absorption) characteristics. It is found that the C,N‐codoped TiO2 exhibited strong absorption to visible‐light region and improved electron donor density than pure TiO2 from UV‐Vis absorbance spectra and Mott‐Schottky analysis, respectively. The enhanced photoelectrochemical performance of the C,N‐codoped TiO2 could be ascribed to the strong visible light absorption through band gap reduction and suppression of electrons‐holes recombination process.
Piperidine Promoted Direct Sulfenylation of 2‐Naphthol with Aryl Thiols under Aqueous Conditions
Authors: Xiao Fuhong , Tian Jingxin , Xing Qiaoyan , Huang Huawen , Deng Guo‐Jun , Liu Yuejin
Published: January 2017

An efficient and convenient method has been developed for the preparation of aryl sulfides via a piperidine promoted direct sulfenylation of naphthols with arylthiols under aqueous conditions. This synthetic strategy features environmental friendliness, easy operation, and mild reaction conditions.
Extraction of the Very High Tunneling Current and Extremely Stable Emission Current from GdB6/W‐Tip Source Synthesized Using Arc Plasma
Authors: Suryawanshi Sachin R. , Kanhe Nilesh , Mathe Vikas L. , Phase Deodatta M. , Late Dattatray J. , More Mahendra A.
Published: January 2017

Herein, we report the one step arc plasma synthesis of the GdB6 (Gadolinium hexaboride) nanoparticles and its field emission (FE) characteristics on tungsten point substrate (GdB6/W). The SEM / TEM analysis revealed the GdB6 nanoparticles on W point substrate exhibit irregular shaped, grainy, dense, course morphology, i. e. uniformly covering the entire tip substrate surface. For GdB6/W point source, the values of the turn‐on and threshold fields, defined as field required to draw an emission current density ∼1 mA/cm2 and ∼100 mA/cm2, respectively are found to be ∼ 2.2 and ∼2.7 V/μm, for anode‐cathode separation of ∼1 mm. Interestingly, a very high emission current density of ∼3.5 A/cm2 has been drawn from the GdB6/W point emitter at relatively lower applied field of ∼6.4 V/μm. The field enhancement factor found to be ∼10,250. The GdB6/W point electron source exhibits a good emission current stability at ∼10 mA for a period of 6 hr. The emission current stability is enumerated in terms of standard deviation and its magnitude has been measured to be only 1.72 % with respect to the average value. The superlative field emission characteristics signify the GdB6/W point electron source as potential candidates for vacuum micro/nanoelectronics device applications.
Mobile Gates Driven by Intermolecular Hydrogen Bonding
Authors: Zhang Rui‐Lian , Guan Ya‐Lan , Xiao Mi , Xiao Xin‐Cai
Published: January 2017

A novel family of mobile gates is reported. The proposed gates were fabricated with polyacrylamide (PAAM) microspheres solution and the immobilizing‐ poly(acrylic acid) (PAAC) membrane using their intermolecular hydrogen bonding. Under the range of the molar ratio of the amide groups and carboxylic acid groups being from 26 to 38, the system showed off when PAAM microspheres combined with PAAC at the temperatures being lower than upper critical solution temperature (UCST) of PAAM‐PAAC while displayed on when PAAM microspheres were far away PAAC at the temperatures being higher than the UCST. The results of the optical microscopy images and reversible thermoresponsive release experiments display that the gates had satisfactorily reversibility and renewability. The proposed mobile gates provide a new mode of behavior for drug delivery systems and other chemical purification.
Mesoporous Tantalum Oxide Photocatalyst: Structure and Activity Evaluation
Authors: Seisenbaeva Gulaim A. , Cojocaru Bogdan , Jurca Bogdan , Tiseanu Carmen , Nedelec Jean‐Marie , Kessler Vadim G. , Parvulescu Vasile I.
Published: January 2017

Mesoporous nanostructured pure tantalum pentoxide and Eu‐doped Ta2O5 were produced by facile and reproducible one‐pot procedure not involving structure directing agents. The as‐produced material is poorly crystalline and catalytically inactive. Photoluminescence behavior of the doped oxide indicates that it is formed by quick nucleation of pure Ta2O5, leaving the Eu‐dopant only on the surface of the formed material. Further thermal treatment leads to crystallization and structural transformation as revealed by in situ X‐Ray Diffraction (XRD) and Rietveld refinement used to identify and quantify the emerging phases as well as Diffuse Reflectance UV‐vis Spectroscopy (DR‐UV‐Vis) and Raman Spectroscopy studies. The thermally induced transformation results in generation of surface oxygen vacancies that provide the material with pronounced photocatalytic activity in selective oxidation of aromatic amine compounds. The processes of generation and curing of the vacancies have been followed and quantified by temperature programmed oxidation and reduction and photoluminescence studies, offering in depth insight into the reaction mechanism.
Pd nanoparticles Incarcerated in Aluminium Oxy‐Hydroxide: An Efficient and Recyclable Heterogeneous Catalyst for Selective Knoevenagel Condensation
Authors: Göksu Haydar , Gültekin Emine
Published: January 2017

Knoevenagel condensation between aryl aldehyde derivatives with malononitrile was successfully achieved using commercially available Pd/AlO(OH) nanoparticles (0.5 wt% Pd) in an aqueous medium. All benzylidenemalononitrile (BMN) derivatives were obtained promptly (8‐60 min) with high selectivity and yields of over 99 % in a mixture of H2O/MeOH (v/v=1/2) at room temperature. Moreover, when benzoyl chloride derivatives were utilized instead of aryl aldehyde derivatives, medium amounts of the expected products were yielded. Before the reaction and after five reuses, characterization of the Pd/AlO(OH) nanoparticles was carried out via X‐ray diffraction and scanning electron microscopy analysis. The BMN derivative characterization was accomplished using the 1H NMR and 13C NMR spectra. In order to optimize the reaction conditions, the parametric effects of the solvent type and catalyst amount were examined. Consequently, the PdAlO(OH) NPs were used for the first time in the Knoevenagel condensation. A novel, practical and eco‐friendly process was developed for Knoevenagel condensation in the presence of Pd/AlO(OH) nanoparticles.
Tri–tert‐Butanolamine as an Organic Promoter in Nucleophilic Fluorination
Authors: Shinde Sandip S. , Khonde Nilesh S. , Kumar Pradeep
Published: January 2017

Tri‐tert‐butanol amine acts as promoter with alkali metal salts in the nucleophilic fluorination of alkylsulfonates. It significantly enhances the reactivity of alkali metal salts with minimum formation of side‐products (alkene, ether, and alcohol) compared to other catalysts in fluorination reaction. The synergism of tert‐alcohol and amine moiety plays a pivotal role in fluorination.
Building Light‐Emitting Metal‐Organic Frameworks by Post‐Synthetic Modification
Authors: Abdelhameed Reda M. , Ananias Duarte , Silva Artur M. S. , Rocha João
Published: January 2017

Ln3+‐bearing Metal‐Organic Frameworks (MOFs) are attracting much attention because of their unique luminescence properties and the possibility of fine‐tuning the metal coordination spheres by post‐synthetic modification (PSM). Here, we report PSM of the well‐known IRMOF‐3 by reaction with methyl 3‐chloro‐3‐oxopropanoate and pyridine‐2,6‐dicarbonyl dichloride affording, respectively, IRMOF‐3‐CM and IRMOF‐3‐PY. 1H NMR of the digested modified samples showed ca. 100 % conversion of the amino group. The pendant groups of PSM IRMOF‐3 were subsequently used to coordinate Eu+3 and Tb3+ and the luminescence properties of the materials studied.
Catalytic Conversion of Carbohydrates to Methyl Lactate Using Isolated Tin Sites in SBA‐15
Authors: Pang Jifeng , Zheng Mingyuan , Li Xinsheng , Song Lei , Sun Ruiyan , Sebastian Joby , Wang Aiqin , Wang Junhu , Wang Xiaodong , Zhang Tao
Published: January 2017

A series of Sn‐SBA‐15 catalysts were synthesized using a post‐synthetic metal implantation method for converting carbohydrates to methyl lactate. The tin species were highly dispersed and isolatedly grafted in the framework of SBA‐15 under the tin salt concentration between 2 and 25 wt%. They solely provided a large number of Lewis acid sites, which showed robust activity for carbohydrates conversion in contrast to the performance of tin dioxide domains or particles. Over a Sn‐SBA‐15 catalyst (Si/Sn molar=150), the Lewis acid density was 45.9 μmol/g, and methyl lactate yield reached a high value of 57.0 % from inulin conversion in methanol at 433 K for 20 h, without the formation of methyl levulinate by‐product. The Sn‐SBA‐15 catalysts were rather stable under reaction conditions, and cycled at least for 4 times without deactivation.
Effect of Reduction Protocol of Pd Catalysts on Product Distribution in Furfural Hydrogenation
Authors: Date Nandan S. , Biradar Narayan S. , Chikate Rajeev C. , Rode Chandrashekhar V.
Published: January 2017

Single step conversion of furfural to ring hydrogenation and decarbonylation products, 2‐methyltetrahydrofuran (2‐MeTHF) and tetrahydrofuran (THF) in high selectivity was achieved by controlling the particle size of Pd/C catalyst. The particle size variation of Pd/C catalysts in the range of 3.8 to 22 nm could be achieved by employing different reducing agents. Of particular interest was the NaBH4 reduced catalyst (Pd−B/C), which gave the lowest crystallite size of 4.8 nm due to incorporation of B into the inner lattices of Pd−Pd. This phase was evidenced by a characteristic XRD peak of Pd−B at 2θ=38.85 O as well as a shift of (111) peak (40.07 O) of Pd towards the lower value (39.8 O). As compared to formaldehyde reduced catalyst (Pd−F/C), Pd−B/C catalyst completely suppressed the formation of furfuryl alcohol to give > 65 % selectivity to 2‐MeTHF and THF. At 180 OC, almost equal distribution of side chain hydrogenation and ring opening products, 2‐MF (45 %) and PeDO (37 %), respectively, was observed while, higher temperature clearly favoured ring hydrogenation and decarbonylation reactions to give 2‐MeTHF and THF.
Structuring of Alkyl‐Triazole Bridged Silsesquioxanes
Authors: Nunes S. C. , Toquer G. , Cardoso M. A. , Mayoral A. , Ferreira R. A. S. , Carlos L. D. , Ferreira P. , Almeida P. , Cattoën X. , Wong Chi Man M. , de Zea Bermudez V.
Published: January 2017

Non‐porous bridged silsesquioxanes (BSs) were produced by sol‐gel reactions and self‐directed assembly, in the presence of an acid catalyst and a large excess of water, from bridged organosilane precursors (BOPs) synthesized by click chemistry. The rational design of the compounds, comprising an amine group and alkyl chains with variable length (n), pendant and anchored on a single position to a triazole ring, and the control of acid content (w, moles of acid per moles of BOP) enabled the tuning of the morphology and structure of the BSs. At n=6, 12 and 16, and w=0.2 amorphous hybrids were produced as uniform isotropic micro‐ to nanospheres. Structuring resulted at n =16 and w=1.2 or n=20 and w=0.2, yielding lamellar bilayer structures. In the case of the BS with n=20 and w=1.2 a lamellar bilayer phase and a minor hexagonal 2D structure emerged. The quite unusual formation of the latter structure was attributed to the presence of a chloride ion close to the proton located between the N(2) atom of the triazole ring and the amine group of the organic spacer, acting as a curvature agent.
Iodine/tert‐Butyl Hydroperoxide‐Mediated Reaction of Indoles with Dimethylformamide/Dimethylacetamide to Synthesize Bis‐ and Tris(indolyl)methanes
Authors: Deb Mohit L. , Borpatra Paran J. , Pegu Choitanya Dev , Thakuria Ranjit , Saikia Prakash J. , Baruah Pranjal K.
Published: January 2017

Here we report a metal‐free iodine/tert‐butyl hydroperoxide mediated reaction of N‐substituted indoles with dimethylformamide (DMF) / dimethylacetamide (DMA). The reaction produces bis‐ and tris(indolyl)methanes (BIMs and TIMs), in which DMF/DMA provides the methylene (of BIMs) and methine carbons (of TIMs). We have established different optimized conditions for their synthesis. Iodine (10 mol %) with TBHP (in decane, 1.0 equivalent) in DMF/DMA at 130 °C is required for the BIMs synthesis, whereas iodine (20 mol %) with TBHP (in water, 3.0 equivalent) in DMF‐H2O or DMA‐H2O (9:1) is needed for the TIMs. This methodology could be used to synthesize a variety of BIMs and TIMs. We believe, this is the first report of their metal‐free synthesis through C−H functionalization using one carbon source. The use of inexpensive, metal‐free and environmentally benign catalyst made the method handy.
Electronic Effect on Catalytic Water Oxidation by Single Site [Ru(QCl–tpy)(bpy)(OH2)]2+ Catalyst
Authors: Patel Jully , Majee Karunamay , Ahmad Ejaz , Vatsa Aditi , Das Babulal , Padhi Sumanta Kumar
Published: January 2017

The mononuclear [Ru(QCl‐tpy)(bpy)(H2O)](PF6)2 was successfully synthesized and characterized by using several spectroscopic techniques (QCl‐tpy=2‐4′‐(2‐chloroquinolin‐3‐yl)‐2,2′:6′,2′′‐terpyridine). This complex shows only one pKa value at 10.2, due to the deprotonation from the bonded aqua ligand. This complex was successfully employed as a catalyst for chemical water oxidation in CF3SO3H solution (pH 1.0) by using CeIV as an oxidant, shows initial turnover frequency (TOF) of 0.0014 s−1. The manometry and electrochemical data shows that this complex is a better catalyst having turnover number (TON) 19 (out of 25) and overpotential of 600 mV. As compared to the parent Ru(tpy)(bpy)(H2O)](PF6)2 a higher catalytic effect was observed by complex 1, which is expected due to the cause of electronic effect dominating towards electron donating behavior.
Copper‐Catalyzed Remote C−H Nitration of 8‐Amidoquinolines
Authors: Khan Bhuttu , Khan Afsar A. , Bora Darshana , Verma Deepti , Koley Dipankar
Published: January 2017

A highly efficient copper catalyzed remote C−H nitration of 8‐amidoquinolines has been developed using tert‐butyl nitrite as nitrating agent. 5 mol% of catalyst under room temperature furnished the products in excellent yields for arene, heteroarene, aliphatic carboxamide derivatives.
Straighforward Synthesis of a Novel Chiron and its Application to the Synthesis of (+)‐1,4‐Dideoxymannojirimycin and Further Polyoxygenated 2‐Pyperidones
Authors: Ramírez Elsie , Meza‐León Rosa L. , Quintero Leticia , Höpfl Herbert , Cruz‐Gregorio Silvano , Sartillo‐Piscil Fernando
Published: January 2017

The total synthesis of (+)‐1,4‐dideoxymannojimycin and the enantiopure synthesis of three polyoxygenated piperidin‐2‐ones from a novel chiron is reported. Starting from 3‐deoxy‐3‐amine‐D‐glucose, by means of the stereoselective aqueous SHOWO protocol (Sequential‐Hydrolysis‐Oxidation‐Wittig Olefination), the unsaturated‐7,3‐lactam‐D‐xylofuranose derivative was prepared, which depending on the oxidative C−C bond cleavage reaction conditions for the furanose moiety, is transformed into either (+)‐1,4‐dideoxymannojirimycin or polyoxygenated piperidin‐2‐ones.
Probing Molecular‐Transport Properties using the Superconducting Proximity Effect
Authors: Katzir Eran , Sukenik Nir , Kalcheim Yoav , Alpern Hen , Yochelis Shira , Berlin Yuri A. , Ratner Mark A. , Millo Oded , Paltiel Yossi
Published: January 2017

Molecular electronics research focuses on the study and application of molecular building blocks for the fabrication of nanoscale electronic devices, and on utilizing their self‐organization properties to achieve large‐scale electronic circuits. One of the key issues in molecular electronics is to identify the mechanism governing the electrical conductivity along the molecules. More specifically, the problem is to determine whether the junction behaves as a tunnel barrier, or the junction provides electron or hole conduction channels through the molecule. Due to the large energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), it is usually assumed in calculations that the molecule may contain only one conducting channel either for electrons or for holes. Experimentally, measurements using a local‐probe tip or a small gap between two metallic leads strongly depend on the nature of the linkage between the molecules and the contacts, which is hard to optimize. Here, a new approach is presented to study the electronic and transport properties of molecules using the superconducting proximity effect. Insight into these properties is gained by monitoring the modifications of the superconducting properties upon linking nanoparticles to a superconductor via the studied molecules.
Verschlüsse und Antriebe am Sperrwerk Greifswald
Authors: Heyder Frank , Hohberg Andreas , Lettner Christian
Published: January 2017

Das Sperrwerk Greifswald an der Mündung des Ryck in den Greifswalder Bodden bildet den Kern des Sturmflutschutzes für Greifswald. Durch einen Hauptverschluss als Drehsegment und zwei Nebenverschlüsse als Schiebetore können 60 m Fluss und Uferbereich zwischen den angrenzenden Deichen im Sturmflutfall verschlossen werden. Der Hauptverschluss wurde als Drehsegment konzipiert, um den Schifffahrtsweg so wenig wie möglich einzuschränken. In Ruheposition liegt das Drehsegment in einer Mulde in der Bodenplatte unterhalb des Flussgrundes. Bei Sturmflutwarnung wird das Drehsegment über zwei Hydraulikzylinder um 90° in die Staustellung gedreht. Die Nebenverschlüsse sichern die Promenadenbereiche links und rechts vom Ryck. Sie wurden als Schiebetore ausgebildet, die normalerweise in Kammern im benachbarten Deich stehen und bei Sturmflutwarnung über Elektromotoren ausgefahren werden. Haupt‐ und Nebenverschlüsse wurden als geschweißte räumliche Schalentragwerke ausgebildet und mit FEM‐Software als jeweils ein Bauteil bemessen. Die besondere Herausforderung dieses Bauvorhabens war das Zusammenwirken von Wasser‐ und Spezialtiefbau, Betonbau, Stahlbau, Maschinenbau und Elektrotechnik.

Der Teil 1 beschreibt die Planung und statische Berechnung und ist im Heft 12/2016 erschienen.
Sicherheitsaspekte beim Stabilitätsnachweis von Hochspannungsstahlgittermasten
Authors: Mix Matthias
Published: January 2017

Hochspannungsstahlgittermaste sind Stahlbauwerke aus überwiegend schlanken Winkelprofilen. Die Schlankheitsgrade für Biegeknicken bewegen sich im Intervall von ≈ 40 für Eckstiele bis ≈ 160 für Diagonalstäbe. Der Nachweis erfolgt in Europa entsprechend VDE 0210‐1 nach Theorie erster Ordnung. In Abhängigkeit des bezogenen Schlankheitsgrades erfolgt eine Abminderung der Streckgrenze. Zusätzlich wird ein Teilsicherheitsbeiwert angesetzt. In Deutschland wird entsprechend VDE 0210‐2‐4 die Knickspannungslinie c verwendet. Die europäischen Knickspannungslinien sind durch reale und numerische Experimente bestimmt worden. Der Abminderungsfaktor auf die Streckgrenze wird für alle Schlankheitsgrade durch eine empirische Gleichung beschrieben. Das Produkt aus Abminderungsfaktor, Streckgrenze und Brutto‐ bzw. Effektivquerschnittfläche ergibt die rechnerische, charakteristische Traglast. Diese ist aus Sicherheitsgründen für alle Schlankheitsgrade so niedrig gewählt, dass sie von mindestens 97,7 % der Versuche überschritten wird. Der Erwartungswert der Traglast liegt somit über der charakteristischen Traglast – sie streut jedoch. Die Versuche zeigen unterschied liche Variationskoeffizienten von 0,09 im Bereich kleiner Schlankheitsgrade, die für große Schlankheitsgrade auf Werte um 0,05 sinken. Der Erwartungswert der Traglast liegt im Bereich kleiner Schlankheitsgrade weiter oberhalb der empirischen Gleichung als im Bereich großer Schlankheitsgrade. Dies führt für Stäbe mit unterschiedlichem Schlankheitsgrad, die bei semiprobabilistischem Nachweis zu 100 % ausgenutzt sind, zu unterschiedlichen Zuverlässigkeitsindizes.