bluuebunny/crossref_metadata_2025_split huggingface dataset:
Evaluating Arctic cloud radiative effects simulated by NICAM with A‐train
Authors: Hashino Tempei , Satoh Masaki , Hagihara Yuichiro , Kato Seiji , Kubota Takuji , Matsui Toshihisa , Nasuno Tomoe , Okamoto Hajime , Sekiguchi Miho 
Published: June 2016

AbstractEvaluation of cloud radiative effects (CREs) in global atmospheric models is of vital importance to reduce uncertainties in weather forecasting and future climate projection. In this paper, we describe an effective way to evaluate CREs from a 3.5 km mesh global nonhydrostatic model by comparing it against A‐train satellite data. The model is the Nonhydrostatic Icosahedral Atmospheric Model (NICAM), and its output is run through a satellite‐sensor simulator (Joint Simulator for satellite sensors) to produce the equivalent CloudSat radar, CALIPSO lidar, and Aqua Clouds and the Earth's Radiant Energy System (CERES) data. These simulated observations are then compared to real observations from the satellites. We focus on the Arctic, which is a region experiencing rapid climate change over various surface types. The NICAM simulation significantly overestimates the shortwave CREs at top of atmosphere and surface as large as 24 W m−2 for the month of June. The CREs were decomposed into cloud fractions and footprint CREs of cloud types that are defined based on the CloudSat‐CALIPSO cloud top temperature and maximum radar reflectivity. It turned out that the simulation underestimates the cloud fraction and optical thickness of mixed‐phase clouds due to predicting too little supercooled liquid and predicting overly large snow particles with too little mass content. This bias was partially offset by predicting too many optically thin high clouds. Offline sensitivity experiments, where cloud microphysical parameters, surface albedo, and single scattering parameters are varied, support the diagnosis. Aerosol radiative effects and nonspherical single scattering of ice particles should be introduced into the NICAM broadband calculation for further improvement.
Asymmetric Aldol Reaction of Dichloroacetaldehyde Catalyzed by Diarylprolinol
Authors: Hayashi Yujiro , Nakamura Daichi , Yasui Yusuke , Iwasaki Kotaro , Chiba Hiroaki 
Published: June 2016

AbstractThe asymmetric cross‐aldol reaction of dichloroacetaldehyde with aldehyde pronucleophiles proceeds in the presence of a trifluoromethyl‐substituted diarylprolinol to afford γ,γ‐dichloro‐β‐hydroxy aldehydes in good yield with excellent enantioselectivity. The obtained products are useful synthetic intermediates; they were successfully converted to form chiral alkynes and dichloroalkenes.magnified image
N,N‐Dimethylacetamide (DMA) as a Methylene Synthon for Regioselective Linkage of Imidazo[1,2‐a]pyridine
Authors: Modi Anju , Ali Wajid , Patel Bhisma K. 
Published: June 2016

AbstractA copper(II)‐catalyzed oxidative methylene‐bridged dimerization of two analogous imidazo[1,2‐a]pyridines has been achieved using N,N‐dimethylacetamide (DMA) as solvent cum methylene source. This reaction works with a variety of substituted imidazo[1,2‐a]pyridines giving their products in moderate to good yields. Isotopic labelling experiments revealed that the methylene group in the product originates from the N,N‐dimethyl moiety of DMA.magnified image
Bandgap Engineering of Conjugated Nanoporous Poly‐benzobisthiadiazoles via Copolymerization for Enhanced Photocatalytic 1,2,3,4‐Tetrahydroquinoline Synthesis under Visible Light
Authors: Wang Zi Jun , Ghasimi Saman , Landfester Katharina , Zhang Kai A. I. 
Published: June 2016

AbstractConveniently combining properties such as high interfacial surface area, excellent visible light absorption and semiconductor‐range bandgap, conjugated nanoporous polymer networks are promising candidates as pure organic, metal‐free, visible light‐responsive and heterogeneous photocatalysts. Here, a facile yet precise bandgap engineering strategy to achieve fine justification of the valence and conduction band positions of a series of nanoporous polymers to optimally bracket the redox potential of the targeted individual photoredox reaction via copolymerization of the electron‐withdrawing benzobisthiadiazole moieties into the polymer network backbone is presented. The enhanced photocatalytic activity of the nanoporous polymer networks was demonstrated in the synthesis of 1,2,3,4‐tetrahydroquinoline, an important motif in pharmaceutical compounds, via photooxidative cyclization of N,N‐dimethylanilines with maleimides.magnified image
Lewis Acid‐Catalyzed [3+2] Cycloaddition of Donor‐Acceptor Cyclopropanes and Enamines: Enantioselective Synthesis of Nitrogen‐Functionalized Cyclopentane Derivatives
Authors: Verma Kamal , Banerjee Prabal 
Published: June 2016

AbstractA straightforward and efficient method for the synthesis of nitrogen‐functionalized cyclopentane derivatives via [3+2] cycloaddition of enamines with donor‐acceptor cyclopropanes in the presence of catalytic amounts of various Lewis acids at room temperature has been developed; furthermore, the corresponding β‐amino acid was synthesized by monodecarboxylation and hydrogenolysis. An enantioenriched synthesis of nitrogen‐functionalized cyclopentane derivatives through dynamic kinetic asymmetric transformation of racemic donor‐acceptor cyclopropanes has also been achieved employing a copper complex [Cu(OTf)2‐L1] as the catalyst affording an enantiomeric ratio up to 8:1.magnified image
Regioselective Organocatalytic Formation of Carbamates from Substituted Cyclic Carbonates
Authors: Sopeña Sergio , Laserna Victor , Guo Wusheng , Martin Eddy , Escudero‐Adán Eduardo C. , Kleij Arjan W. 
Published: June 2016

AbstractA highly regioselective catalytic approach has been developed towards carbamates derived from cyclic organic carbonates by reaction of the latter with amine reagents under organocatalytic control. For various combinations of carbonate and amine substrates, an organocatalyst (TBD: 1,5,7‐triazabicyclo[4.4.0]dec‐5‐ene) was used to increase the reaction kinetics while exerting excellent regioselective control. The current method is the first general approach towards the control over the regioselectivity of this reaction using a wide variety of easily accessed substituted organic carbonates.magnified image
Rhodium‐Catalyzed N‐tert‐Butoxycarbonyl (Boc) Amination by Directed CH Bond Activation
Authors: Wippich Julian , Truchan Nadina , Bach Thorsten 
Published: June 2016

AbstractN‐tert‐Butoxycarbonyl azide (BocN3) was shown to be an efficient and economic source for the directed introduction of N‐Boc protected amino groups into the thiophene and benzene nucleus. Yields for the amination of 2‐pyridin‐2‐ylthiophenes (10 examples) were 52–88%. For the amination of the respective benzenes (10 examples) yields between 54% and 99% were recorded with an improved reactivity observed for substrates that bear an electron‐withdrawing group. The reaction was applied to short total syntheses of the indoloquinoline alkaloids quindoline and cryptolepine. The facile removal of the Boc protecting group was the key to the success of the syntheses. The scope of the reaction was extended to a C(sp3)H bond amination and to the amination of 2‐phenyloxazoline. For the amination of 2‐pyridin‐2‐ylbenzene a kinetic deuterium isotope effect of 2.0 was determined.magnified image
Peptide‐Catalyzed Stereoselective Conjugate Addition Reactions of Aldehydes to Maleimide
Authors: Grünenfelder Claudio E. , Kisunzu Jessica K. , Wennemers Helma 
Published: June 2016

AbstractThe tripeptide H‐dPro‐Pro‐Asn‐NH2 is presented as a catalyst for asymmetric conjugate addition reactions of aldehydes to maleimide. The peptidic catalyst promotes the reaction between various aldehydes and unprotected maleimide with high stereoselectivities and yields. The obtained products were readily derivatized to the corresponding pyrrolidines, lactams, lactones, and peptide‐like compounds. 1H NMR spectroscopic, crystallographic, and computational investigations provided insight into the conformational properties of H‐dPro‐Pro‐Asn‐NH2 and revealed the importance of hydrogen bonding between the peptide and maleimide for catalyzing the stereoselective C−C bond formation.
Enhanced Intrinsic Catalytic Activity of λ‐MnO2 by Electrochemical Tuning and Oxygen Vacancy Generation
Authors: Lee Sanghan , Nam Gyutae , Sun Jie , Lee Jang‐Soo , Lee Hyun‐Wook , Chen Wei , Cho Jaephil , Cui Yi 
Published: June 2016

AbstractChemically prepared λ‐MnO2 has not been intensively studied as a material for metal–air batteries, fuel cells, or supercapacitors because of their relatively poor electrochemical properties compared to α‐ and δ‐MnO2. Herein, through the electrochemical removal of lithium from LiMn2O4, highly crystalline λ‐MnO2 was prepared as an efficient electrocatalyst for the oxygen reduction reaction (ORR). The ORR activity of the material was further improved by introducing oxygen vacancies (OVs) that could be achieved by increasing the calcination temperature during LiMn2O4 synthesis; a concentration of oxygen vacancies in LiMn2O4 could be characterized by its voltage profile as the cathode in a lithiun–metal half‐cell. λ‐MnO2−z prepared with the highest OV exhibited the highest diffusion‐limited ORR current (5.5 mA cm−2) among a series of λ‐MnO2−z electrocatalysts. Furthermore, the number of transferred electrons (n) involved in the ORR was >3.8, indicating a dominant quasi‐4‐electron pathway. Interestingly, the catalytic performances of the samples were not a function of their surface areas, and instead depended on the concentration of OVs, indicating enhancement in the intrinsic catalytic activity of λ‐MnO2 by the generation of OVs. This study demonstrates that differences in the electrochemical behavior of λ‐MnO2 depend on the preparation method and provides a mechanism for a unique catalytic behavior of cubic λ‐MnO2.
Structural and antibacterial properties of a γ‐radiation‐assisted,in situprepared silver–polycarbonate matrix
Authors: Deore A. V. , Hareesh K. , Ramya P. , Ianni E. , Guagliardo P. , Samarin S. , Williams J. F. , Sanjeev G. , Dahiwale S. S. , Kanjilal D. , Dhole N. A. , Kodam K. M. , Bhoraskar V. N. , Dhole S. D. 
Published: June 2016

ABSTRACTA silver–polycarbonate (Ag–PC) matrix was prepared by a γ‐radiation‐assisted diffusion method, and its antibacterial properties were studied. Rutherford backscattering spectroscopy, X‐ray diffraction, and transmission electron microscopy results showed the diffusion of good, crystalline‐structured (face‐centered cubic) silver nanoparticles (AgNPs) inside polycarbonate (PC) after irradiation. Ultraviolet–visible spectroscopic results indicated a blueshift in the surface plasmon resonance of the AgNPs; this revealed a particle size decrease with increasing γ‐radiation dose. This was also supported by the scanning electron microscopy results. The microstructure of the pristine PC and silver‐doped PC was monitored with positron annihilation spectroscopy, and it showed decreases in the free‐volume hole size and fractional free‐volume for Ag–PC and γ‐ray‐irradiated PC. This corroborated the Doppler broadening spectroscopy results. The thermal degradation temperature of PC was increased because of the diffusion of AgNPs in PC. The antibacterial activity of the synthesized Ag–PC matrix was evaluated by the zone of inhibition, and the results demonstrated its bacterial growth inhibition ability. The results indicate the potential to produce an Ag–PC matrix for various applications in medical and food industries. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2016,133, 43729.
Fragrance‐Containing Microcapsules Based on Interfacial Thiol‐Ene Polymerization
Authors: Liao Ziyang , Xue Daquan , Li Hao , Shi Lei 
Published: June 2016

ABSTRACTIn this study, microcapsules containing fragrance oils as active agent were synthesized by interfacial thiol‐ene polymerization in oil‐in‐water emulsion. One water‐soluble dithiol and four oil‐soluble acrylates were used as “click”able monomers. The polymerization kinetics was studied by HPLC and 1H‐NMR. The size and morphology of the microcapsules were characterized by means of light scattering, optical microscope, and scanning electron microscope, and their thermal property was examined by TGA. The encapsulation efficiency and stability of the microcapsules were monitored at room temperature and 45 °C for 1 month. In general, this interfacial thiol‐ene polymerization was demonstrated to be a facile and efficient approach for fragrance microencapsulation with new and stable shell materials. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43905.
Kinetic study of the nonthermal effect of the esterification of octenyl succinic anhydride modified starch treated by microwave radiation
Authors: Shi Haixin , Yin Yanzhen , Wang Airong , Fang Liping , Jiao Shufei 
Published: June 2016

ABSTRACTWith cassava starch as a raw material and octenyl succinic anhydride as an esterifying agent, octenyl succinic anhydride modified starch (OSA–starch) was prepared in an aqueous medium and treated by water‐bath heating and microwave radiation at a certain temperature, respectively. The reaction kinetics of esterification were studied. The structural analysis and synthesis mechanism of OSA–starch were investigated by means of scanning electron microscopy and Fourier transform infrared spectroscopy. The differences in the esterification reaction kinetics between starches treated with water‐bath heating and microwave radiation were observed. Under the condition of water‐bath heating, the apparent activation energy of the esterification reaction was 52.22 ± 1.21 kJ/mol, and the pre‐exponential factor was 9018.20/min−1. Under the condition of microwave radiation, the apparent activation energy of the esterification reaction was 50.13 ± 1.16 kJ/mol, and the pre‐exponential factor was 4510.21/min−1. We found that microwave radiation could reduce both the activation energy of the reaction and the pre‐exponential factor. The lowering effect of the apparent activation energy was greater than that of the pre‐exponential factor under the condition of microwave radiation, and this resulted in increased reaction rates. The change in the esterification reaction kinetics was a nonthermal effect of microwave radiation on the esterification of cassava starch. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43909.
Bio‐based plasticizer and thermoset polyesters: A green polymer chemistry approach
Authors: Rowe Mathew D. , Eyiler Ersan , Walters Keisha B. 
Published: June 2016

ABSTRACTRenewable resource‐based polyesters, poly(trimethylene malonate) (PTM) and poly(trimethylene itaconate) (PTI), were synthesized from 1,3‐propanediol, malonic acid, and itaconic acid via melt polycondensation using green chemistry principles. Aluminum chloride, a Lewis acid, was used as the catalyst at different reaction temperatures. Chemical structure of PTM and PTI with low dispersities showed the presence of ester and ether bonds. A bimodal molecular weight distribution exists, with the high molecular weight fraction ranging from 22 to 38 kDa while the low molecular weight fraction did not exceed 2.5 kDa. Thermal analysis of PTM showed a Tg ranging between –66 and –41 °C. PTM could be used as a plasticizer for other degradable bioplastics, sensor applications, and drug delivery. PTI, a semi‐crystalline thermoset polymer, may be used for production of packaging material, disposable utensils, tableware, indoor furnishings, and more importantly, as a degradable biomaterial for biomedical applications. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43917.
Naphthalenediimide‐alt‐Fused Thiophene D–A Copolymers for the Application as Acceptor in All‐Polymer Solar Cells
Authors: Xue Lingwei , Yang Yankang , Zhang Zhi‐Guo , Zhang Jing , Gao Liang , Bin Haijun , Yang YunXu , Li Yongfang 
Published: June 2016

AbstractThree n‐type alternating D–A copolymers based on a naphthalenediimide (NDI) acceptor (A) unit and three different donor (D) units with varied electron‐donating strength including thiophene (P(NDI‐T)), thieno[3,2‐b]thiophene (P(NDI‐TT)), and thieno[3,2‐b;4,5‐b]dithiophene (P(NDI‐TDT)), were synthesized, for the application as acceptor materials in all‐polymer solar cells (all‐PSCs). The effect of the donor units of thiophene, thienothiophene (TT) and thienodithiophene (TDT) on the physicochemical and photovoltaic properties of the n‐type D–A copolymers was systematically investigated. It was found that the absorption spectrum is red‐shifted and the energy band gap (Eg) is reduced for the NDI‐based D–A copolymers with increasing number of thiophene rings in the thiophene or fused thiophene donor units. All‐PSCs were fabricated with the medium band gap conjugated polymer J51 (Eg of ca 1.9 eV) as polymer donor and the n‐type D–A copolymers as acceptor. The power conversion efficiency reached 2.59 %, 3.70 % and 5.10 % for the all‐PSCs with P(NDI‐T), P(NDI‐TT), and P(NDI‐TDT) as acceptor, respectively. The results indicate that a larger conjugated fused molecular plane with more thiophene rings as donor units in the NDI‐based D–A copolymers is beneficial to reduce the band gap, broaden the absorption and enhance the photovoltaic performance of n‐type D–A copolymer acceptors.
Multi‐Objective Cost‐Detectability in Unfalsified Adaptive Control
Authors: Sajjanshetty Kiran S. , Safonov Michael G. 
Published: June 2016

AbstractVector‐valued controller cost functions that are solely data‐dependent and reflect multiple objectives of a control system are examined within the framework of unfalsified adaptive control. The notion of Pareto optimality of vector‐valued cost functions and the conditions under which they are cost‐detectable are discussed. A sampled data/discrete‐time Level‐Set controller switching algorithm is investigated which allows for the relaxation of the assumption that the controller cost function be monotonically nondecreasing in time. This opens up the possibility of the use of fading memory cost functions which are nonmonotone. When an active controller is falsified at the current threshold cost level, the Level‐Set switching algorithm replaces it by an effectively unique solution of the weighted Tchebycheff method, thus ensuring the selection of an unfalsified Pareto optimal controller. Theoretical results for convergence and stability of the adaptive system are given. Simulation results validate the use of cost‐detectable multi‐objective cost functions. An example of a cost‐detectable cost function which uses fading memory norm of the fictitious tracking error as a performance measure is shown. This allows for computation of performance of nonactive controllers with respect to a reference model.
Wissenschaft im Glaubenskampf. Geschichte als Argument in den akademischen Festreden Emil DuBois‐Reymonds (1818–1896)
Authors: Leber Christoffer , Nickelsen Kärin 
Published: June 2016

AbstractThe Religious War of Science. Historical Argumentation in the Academic Speeches of Emil DuBois‐Reymond (1818–1896). Among the protagonists of the “laboratory revolution” (Cunningham/Williams) in 19th‐century physiology were the self‐proclaimed ‘organic physicists’ (“organische Physiker”), who shared a mechanistic conception of life processes. One of their key figures was the physiologist Emil DuBois‐Reymond (1818–1896) who not only excelled in the field of neuroscience but also became known, over the decades of his active career, as an orator at the Berlin Academy of Sciences and Humanities. In his academic speeches, DuBois‐Reymond regularly commemorated heroes of the history of science. On closer inspection, these references went far beyond paying the usual homage to precursors: This paper argues that DuBois‐Reymond made use of episodes from the history of science as a means to legitimate his own reductionist research programme and, at the same time, decry idealistic natural philosophy and vitalistic positions. Drawing upon biblical rhetorics, DuBois‐Reymond systematically construed experimental physiology as the culmination of a teleological development, and, hence, organic physicists as the incarnation of scientific ‘redeemers’. According to him, the success of ‘organic physics’ displayed the peak of an inevitable development.
Conceptualising the relationship between shopper religiosity, perceived risk and the role of moral potency
Authors: Baazeem Thamer , Mortimer Gary , Neale Larry 
Published: June 2016

AbstractThe primary aim of this paper is to conceptualise the influence of shopper religiosity on perceived risk and the moderating role of moral potency when purchasing religiously questionable products from retailers. An extensive review of extant literature was undertaken, drawing together the General Theory of Marketing Ethics and the concept of moral potency, in a retail context. A conceptual model is developed that provide the basis for future inquiry. The model elucidates the complex relationships between the dimensions of religiosity and social and psychological risk and then explains the moderating role of moral potency. The model offers a strong psychological explanation of how a shoppers' religion may increase their perceptions of risk in a purchase situation. The model also argues that risk perceptions may be heightened (or lessened) as a result of the shoppers' personal responsibility, confidence and courage. Retail managers may choose to implement this model in order to better predict shopper adoption behaviour of new religiously questionable products. The model allows for future empirical examinations across multiple shopping contexts and may be employed to estimate levels' demand for new products based on the extent of religiosity, moral potency and risk. The role of religion within retailing and shopping behaviour is emergent. Extant retailing literature has previously overlooked the role of religion as an antecedent to risk and the role of moral potency in moderating that relationship. This is the first paper to highlight these gaps and propose a testable model. Copyright © 2016 John Wiley & Sons, Ltd.
Choice confidence in the webrooming purchase process: The impact of online positive reviews and the motivation to touch
Authors: Flavián Carlos , Gurrea Raquel , Orús Carlos 
Published: June 2016

AbstractThe webrooming purchase process (i.e. searching for information online and then buying the product offline) is the most extended cross‐channel shopping behaviour. With the aim of offering a better understanding of this behaviour, this research relies on information processing and uncertainty reduction theories to propose that consumers use the online information to make the offline purchase with a higher degree of confidence. We examine the effects of a previous online interaction with a product on the preferences and decision at the physical store, as well as on the outcomes of the experience. In this path to purchase, we analyse how positive online customer reviews, as a specific form of electronic word of mouth, help the consumer to improve their experience, given their great potential to reduce the consumer's uncertainty in a purchase situation. In addition, the role of the motivation to touch the product is examined. The results of two studies show that the combination of an online search and an offline purchase improves the consumers' purchase experience in pre‐choice variables (i.e. purchase intentions), choice and post‐choice variables (i.e. search‐process satisfaction and choice confidence). Moreover, reading a positive online customer review influences choice confidence, and all the variables considered in the research when it is received at the physical store. Finally, the results stress the importance of the motivation to touch when studying multichannel shopping behaviour, given its direct and moderating effects on the webrooming purchase process. Implications for theory and practice are discussed. Copyright © 2016 John Wiley & Sons, Ltd.