bluuebunny/crossref_metadata_2025 huggingface dataset:
Physical modeling of program and erase speeds of metal–oxide–nitride–oxide–silicon cells with three-dimensional gate-all-around architecture
Authors: Lee Gae-Hun , Yang Hyung-Jun , Jung Sung-Wook , Choi Eun-Seok , Park Sung-Kye , Song Yun-Heub
Published: December 2013

We present an investigation of the program and erase speed characteristics of three-dimensional (3D) gate-all-around (GAA) metal–oxide–SiN
X
–oxide–silicon (MONOS) cells. The effect of the tunneling oxide layer thickness in 3D GAA MONOS cells has been experimentally investigated and studied by 3D technology computer-aided design (TCAD) simulation. In particular, we considered physical parameters such as trap density, capture cross section, and trap level in order to analyze the physical properties of the silicon nitride layer. Simulation results indicated that the trap density significantly affects the program efficiency compared with other physical parameters, and the trap level mainly affects the erase efficiency. From these simulation results, we confirmed from the experimental results that the modeling accuracy is about 80%. Moreover, the simulation results for the program and erase speeds of the GAA MONOS cells were in reasonable agreement with experimental results.
Energy resolution of gas ionization chamber for high-energy heavy ions
Authors: Sato Yuki , Taketani Atsushi , Fukuda Naoki , Takeda Hiroyuki , Kameda Daisuke , Suzuki Hiroshi , Shimizu Yohei , Nishimura Daiki , Fukuda Mitsunori , Inabe Naohito , Murakami Hiroyuki , Yoshida Koichi , Kubo Toshiyuki
Published: December 2013

The energy resolution is reported for high-energy heavy ions with energies of nearly 340 MeV/nucleon and was measured using a gas ionization chamber filled with a 90%Ar/10%CH4 gas mixture. We observed that the energy resolution is proportional to the inverse of the atomic number of incident ions and to the inverse-square-root of the gas thickness. These results are consistent with the Bethe–Bloch formula for the energy loss of charged particles and the Bohr expression for heavy ion energy straggling. In addition, the influence of high-energy δ-rays generated in the detector on the energy deposition is discussed.
A signal of persistent Atlantic multidecadal variability in Arctic sea ice
Authors: Miles Martin W. , Divine Dmitry V. , Furevik Tore , Jansen Eystein , Moros Matthias , Ogilvie Astrid E. J.
Published: December 2013

Satellite data suggest an Arctic sea ice‐climate system in rapid transformation, yet its long‐term natural modes of variability are poorly known. Here we integrate and synthesize a set of multicentury historical records of Atlantic Arctic sea ice, supplemented with high‐resolution paleoproxy records, each reflecting primarily winter/spring sea ice conditions. We establish a signal of pervasive and persistent multidecadal (~60–90 year) fluctuations that is most pronounced in the Greenland Sea and weakens further away. Covariability between sea ice and Atlantic multidecadal variability as represented by the Atlantic Multidecadal Oscillation (AMO) index is evident during the instrumental record, including an abrupt change at the onset of the early twentieth century warming. Similar covariability through previous centuries is evident from comparison of the longest historical sea ice records and paleoproxy reconstructions of sea ice and the AMO. This observational evidence supports recent modeling studies that have suggested that Arctic sea ice is intrinsically linked to Atlantic multidecadal variability. This may have implications for understanding the recent negative trend in Arctic winter sea ice extent, although because the losses have been greater in summer, other processes and feedbacks are also important.
F region dusk ion temperature spikes at the equatorward edge of the high‐latitude convection pattern
Authors: Goodwin L. , St.‐Maurice J.‐P. , Richards P. , Nicolls M. , Hairston M.
Published: December 2013

Using Poker Flat Incoherent Scatter Radar data from the International Polar Year, we observed unexpected short‐lived enhancements of a few 100 K in the F region ion temperature, or “Ti spikes”, in conjunction with sharp F region plasma density drops near the dusk plasmapause. The geomagnetic conditions were moderately to weakly disturbed and the dusk spikes were often the largest Ti values recorded within the day. Taking various other observations into consideration, we conclude that the radar observed ion frictional heating events driven by large ion‐neutral relative drifts caused by temporary intensifications in the convection pattern. The heating rate was enhanced through an increase in the size of the convection pattern, causing the neutrals just poleward of the dusk plasmapause to be moving antisunward while ions were moving sunward.
On the origin of pressure and magnetic perturbations ahead of dipolarization fronts
Authors: Zhou Xu‐Zhi , Angelopoulos V. , Liu Jiang , Runov A. , Li S.‐S.
Published: December 2013

Dipolarization fronts (DFs), earthward‐propagating structures in the Earth's magnetotail current sheet with sharp enhancements of the northward magnetic field Bz, are typically preceded by minor decreases in Bz. Other characteristic DF precursor signatures, including earthward flows and plasma density/pressure enhancements, have been explained in the context of ion acceleration and reflection at dipolarization fronts. In the same context here we simulate the spatial distribution of plasma pressure earthward of a convex DF. The resultant pressure distribution, which shows clear dawn‐dusk asymmetries with greater enhancements at the DF duskside, agrees with statistical observations. The simulation further reveals that the reflected ions can carry a secondary current earthward of the advancing DF, which explains the characteristic signature of the Bz dip immediately ahead of the DF.
New insights into atmospheric sources and sinks of isocyanic acid, HNCO, from recent urban and regional observations
Authors: Roberts James M. , Veres Patrick R. , VandenBoer Trevor C. , Warneke Carsten , Graus Martin , Williams Eric J. , Lefer Barry , Brock Charles A. , Bahreini Roya , Öztürk Fatma , Middlebrook Ann M. , Wagner Nicholas L. , Dubé William P. , de Gouw Joost A.
Published: December 2013

Isocyanic acid (HNCO) has only recently been measured in the ambient atmosphere, and many aspects of its atmospheric chemistry are still uncertain. HNCO was measured during three diverse field campaigns: California Nexus—Research at the Nexus of Air Quality and Climate Change (CalNex 2010) at the Pasadena ground site, Nitrogen, Aerosol Composition, and Halogens on a Tall Tower (NACHTT 2011) at the Boulder Atmospheric Observatory (BAO) in Weld County, CO, and Biofuel Crops emission of Ozone precursors intensive (BioCORN 2011), in a cornfield NW of Fort Collins, CO. Mixing ratios varied from below detection limit (~0.003 ppbv) to over 1.2 ppbv during a period when agricultural burning impacted the BAO Tower site. Urban areas, such as the CalNex 2010 Pasadena site, appear to have both primary (combustion) and secondary (photochemical) sources of HNCO, 50 ± 9%, and 33 ± 12%, respectively, while primary sources were responsible for the large mixing ratios of HNCO observed during the wintertime NACHTT study in suburban Colorado. Isocyanic acid during the BioCORN study in rural NE Colorado was closely correlated to ozone and therefore likely photochemically produced as a secondary product from amines or formamide. The removal of HNCO from the lower atmosphere is thought to be due to deposition, as common gas phase loss processes of photolysis and reactions with hydroxyl radicals, are slow. These ambient measurements are consistent with some HNCO deposition, which was evident at night at these surface sites.
Channelless Fabrication for Large‐Scale Preparation of Room Temperature Liquid Metal Droplets
Authors: Yu Yang , Wang Qian , Yi Liting , Liu Jing
Published: December 2013

The room‐temperature liquid metal (RTLM), which is far from being fully exploited, is emerging as an ideal material for fabricating micro‐droplets owing to its strong surface tension and easy phase control property. In order to find out a low‐cost and technically simple way for quickly preparing metal particles in large‐scale, here a channelless fabrication method based on stream jetting and self breaking up mechanisms of the RTLM when injected into and interact with the matching solution was proposed. Various typical factors on influencing the droplets generation behavior were experimentally investigated and clarified, such as the effects of the aperture size of the injection needle, the density, viscosity of the liquids and surfactants etc. Further, as an illustration of the flexibility of the present method, the direct construction of a three‐dimensional porous metal block with foam‐structures inside was also demonstrated. This study opened an extremely simple way for large scale fabrication of liquid metal micro‐droplets and particles which has rather important practical values. It also suggests a highly efficient approach for visualizing and investigating the fundamental mechanisms of fluids interactions between RTLM and general solution.
Redox‐Induced Asymmetric Electrical Characteristics of Ferrocene‐Alkanethiolate Molecular Devices on Rigid and Flexible Substrates
Authors: Jeong Hyunhak , Kim Dongku , Wang Gunuk , Park Sungjun , Lee Hanki , Cho Kyungjune , Hwang Wang‐Taek , Yoon Myung‐Han , Jang Yun Hee , Song Hyunwook , Xiang Dong , Lee Takhee
Published: December 2013

The electrical properties of ferrocene‐alkanethiolate self‐assembled monolayers (SAMs) on a high yield solid‐state device structure are investigated. The devices are fabricated using a conductive polymer interlayer between the top electrode and the SAM on both silicon‐based rigid substrates and plastic‐based flexible substrates. Asymmetric electrical transport characteristics that originate from the ferrocene moieties are observed. In particular, a distinctive temperature dependence of the current (i.e., a decrease in current density as temperature increases) at a large reverse bias, which is associated with the redox reaction of ferrocene groups in the molecular junction, is found. It is further demonstrated that the molecular devices can function on flexible substrates under various mechanical stress configurations with consistent electrical characteristics. This study enhances the understanding of asymmetric molecules and may lead to the development of functional molecular electronic devices on both rigid and flexible substrates.
Ring‐Closing Metathesis Enabled Efficient Synthesis of γ‐Butenolide Antifungal Agent (−)‐Incrustoporin and its Analogues
Authors: Fernandes Rodney A. , Patil Pradnya H. , Chowdhury Asim K.
Published: December 2013

An efficient synthesis of the antifungal agent (−)‐incrustoporin and analogues based on ring‐closing metathesis (RCM) is described. The ready availability of various allyl alcohols through the Sharpless kinetic resolution and esterification with a variety of substituted aryl acetic acids, followed by α‐methylenation and final RCM to get the targets makes this explored strategy suitable for rapid development of analogues.
A Tetracoordinated Phosphasalen Nickel(III) Complex
Authors: Cao Thi‐Phuong‐Anh , Nocton Grégory , Ricard Louis , Le Goff Xavier F. , Auffrant Audrey
Published: December 2013

The oxidation of a NiII complex bearing a tetradentate phosphasalen ligand, which differs from salen by the presence of an iminophosphorane (PN) in place of an imine unit, was easily achieved by addition of a silver salt. The site of this oxidation was investigated with a combination of techniques (NMR, EPR, UV/Vis spectroscopy, X‐ray diffraction, magnetic measurements) as well as DFT calculations. All data are in agreement with a high‐valent NiIII center concentrating the spin density. This markedly differs from precedents in the salen series for which oxidation on the metal was only observed at low temperature or in the presence of additional ligands or anions. Therefore, thanks to the good electron‐donating properties of the phosphasalen ligand, [Ni(Psalen)]+ represents a rare example of a tetracoordinated high‐valent nickel complex in presence of a phenoxide ligand.
Diastereoselective Synthesis of Open‐Chain Secondary Alkyllithium Compounds and Trapping Reactions with Electrophiles
Authors: Dagousset Guillaume , Moriya Kohei , Mose Rasmus , Berionni Guillaume , Karaghiosoff Konstantin , Knochel Paul
Published: December 2013

A practical stereoselective iodide–lithium exchange was used in the first general preparation of functionalized stereodefined acyclic secondary nonstabilized lithium reagents from the corresponding secondary alkyl iodides. These lithium reagents react with various electrophiles including carbon electrophiles with high retention of configuration. Kinetic data on the configurational stability of these acyclic alkyllithium reagents are given. This methodology offers a new entry to chiral synthons for the stereoselective synthesis of open‐chain molecules.
A Discrete‐Time Global Quasi‐Sliding Mode Control Scheme with Bounded External Disturbance Rejection
Authors: Wu M. , Chen J. S.
Published: December 2013

A global quasi‐sliding mode control (GQSMC) scheme is introduced to ensure zigzag motion with a smaller bound than that offered by Gao's method and to provide disturbance rejection throughout the entire response in discrete time. The design of an augmented forcing function is followed by three conditions in discrete time extended from global sliding mode control (GSMC) in continuous time. Furthermore, we adopt a switching gain, which is auto‐tuned as a function of sliding surface s(k), such that chattering phenomena can be considerably alleviated during the steady‐state, significantly reducing switching control applied to the plant. The proposed GQSMC scheme can provide more advantages such as an even distribution of the control input throughout the entire response and an improvement in the accuracy and speed of the desired performance, guaranteeing a quasi‐sliding mode throughout the entire response. In addition, we also consider the input disturbance rejection according to the norm‐bounded exogenous signal. Results from both the simulation and the experiments are reported. The results further verify that we can use the global sliding surface to curtail reaching the phase stage.
Parametric modeling of the heteroscedastic traffic speed variance from loop detector data
Authors: Wang Haizhong , Li Zhixia , Hurwitz David , Shi Jianjun
Published: December 2013

Traffic speed variance is defined as a measure of the dispersion of space mean speeds among drivers. Empirical speed–density observations exhibit a structured traffic speed variance, which has been found to be associated to the roadway crash rate, the fatality rate, and travel time variability. The objective of this paper is to propose a generalized traffic speed variance function to describe this structured variance. The proposed speed variance function is a response of the speed–density curve with two additional parameters. The estimation of the model parameters in the proposed traffic speed variance function can be carried out through an iterative nonlinear least‐square algorithm (i.e., LevenbergMarquardt). A series of logistic speed–density curve with varying parameters are used in the proposed traffic speed variance function with different levels of performance. The proposed traffic speed variance model can potentially help to unveil the underlying mechanism of empirical traffic phenomenon such as spontaneous congestion or capacity reduction. Copyright © 2013 John Wiley & Sons, Ltd.
Modulation of the perforant path‐evoked potential in dentate gyrus as a function of intrahippocampal β‐adrenoceptor agonist concentration in urethane‐anesthetized rat
Authors: Lethbridge Rebecca L. , Walling Susan G. , Harley Carolyn W.
Published: December 2013

Background

β‐adrenoceptor activation in the hippocampus is sufficient to induce heterosynaptic long‐term potentiation of perforant path input to the dentate gyrus. However, in vitro and in vivo studies suggest the plasticity effects of β‐adrenoceptor activation may vary depending on the level of receptor activation.

Methods

The present experiments use an in vivo model concurrently infusing differing concentrations of the β‐adrenoceptor agonist, isoproterenol (ISO; 0, 0.1, 1, 10, and 100 μmol/L in aCSF; 1 μL over 12.5 min) in the dentate gyrus, while monitoring changes in the perforant path‐evoked potential at the same site.

Results

Long‐term depression (LTD) of fEPSP slope was elicited by 0.1 μmol/L ISO. Higher doses did not alter fEPSP slope. Maximal long‐term potentiation of the perforant path‐evoked population spike (183% >3 h) occurred at 10 μmol/L ISO. Transient depression of spike amplitude occurred at 0.1 μmol/L ISO.

Conclusions

These data demonstrate concentration‐dependent effects of β‐adrenoceptor activation on the perforant path‐evoked potential. Long‐term depression and long‐term potentiation of perforant path‐evoked responses are variably elicited as a function of the degree of receptor activation.
Recursive weighted partial least squares (rPLS): an efficient variable selection method using PLS
Authors: Rinnan Åsmund , Andersson Martin , Ridder Carsten , Engelsen Søren Balling
Published: December 2013

Variable selection is important in fine tuning partial least squares (PLS) regression models. This study introduces a novel variable weighting method for PLS regression where the univariate response variable y is used to guide the variable weighting in a recursive manner—the method is called recursive weighted PLS or just rPLS. The method iteratively reweights the variables using the regression coefficients calculated by PLS. The use of the regression vector to make up the weights is a reasonable idea from the fact that the weights in the regression vector ideally reflect the importance of the variables. In contrast to many other variable selection methods, the rPLS method has the advantage that only one parameter needs to be estimated: the number of latent factors used in the PLS model. The rPLS model has the fascinating output that it, under normal conditions, converges to a very limited number of variables (useful for interpretation), but it will exhibit optimal regression performance before convergence, normally including covarying neighbor variables. This study examines the properties of rPLS by application to a near‐infrared spectroscopy dataset of feed samples predicting the protein content and to a metabolomics dataset modeling a reference metabolic parameter (creatinine) from nuclear magnetic resonance spectra of human urine. Copyright © 2013 John Wiley & Sons, Ltd.
Imputation of left‐censored data for cluster analysis
Authors: Liu Yushan , Brown Steven D.
Published: December 2013

A new method of imputation for left‐censored datasets is reported. This method is evaluated by examining datasets in which the true values of the censored data are known so that the quality of the imputation can be assessed both visually and by means of cluster analysis. Its performance in retaining certain data structures on imputation is compared with that of three other imputation algorithms by using cluster analysis on the imputed data. It is found that the new imputation method benefits a subsequent model‐based cluster analysis performed on the left‐censored data. The stochastic nature of the imputations performed in the new method can provide multiple imputed sets from the same incomplete data. The analysis of these provides an estimate of the uncertainty of the cluster analysis. Results from clustering suggest that the imputation is robust, with smaller uncertainty than that obtained from other multiple imputation methods applied to the same data. In addition, the use of the new method avoids problems with ill‐conditioning of group covariances during imputation as well as in the subsequent clustering based on expectation–maximization. The strong imputation performance of the proposed method on simulated datasets becomes more apparent as the groups in the mixture models are increasingly overlapped. Results from real datasets suggest that the best performance occurs when the requirement of normality of each group is fulfilled, which is the main assumption of the new method. Copyright © 2013 John Wiley & Sons, Ltd.
Effect of Functionalized Groups on Gas‐Adsorption Properties: Syntheses of Functionalized Microporous Metal–Organic Frameworks and Their High Gas‐Storage Capacity
Authors: Wang Yanlong , Tan Chunhong , Sun Zhihao , Xue Zhenzhen , Zhu Qilong , Shen Chaojun , Wen Yuehong , Hu Shengmin , Wang Yong , Sheng Tianlu , Wu Xintao
Published: December 2013

The microporous metal–organic framework (MMOF) Zn4O(L1)2⋅9 DMF⋅9 H2O (1‐H) and its functionalized derivatives Zn4O(L1‐CH3)2⋅9 DMF⋅9 H2O (2‐CH3) and Zn4O(L1‐Cl)2⋅9 DMF⋅9 H2O (3‐Cl) have been synthesized and characterized (H3L1=4‐[N,N‐bis(4‐methylbenzoic acid)amino]benzoic acid, H3L1‐CH3=4‐[N,N‐bis(4‐methylbenzoic acid)amino]‐2‐methylbenzoic acid, H3L1‐Cl=4‐[N,N‐bis(4‐methylbenzoic acid)amino]‐2‐chlorobenzoic acid). Single‐crystal X‐ray diffraction analyses confirmed that the two functionalized MMOFs are isostructural to their parent MMOF, and are twofold interpenetrated three‐dimensional (3D) microporous frameworks. All of the samples possess enduring porosity with Langmuir surface areas over 1950 cm2 g−1. Their pore volumes and surface areas decrease in the order 1‐H>2‐CH3>3‐Cl. Gas‐adsorption studies show that the H2 uptakes of these samples are among the highest of the MMOFs (2.37 wt % for 3‐Cl at 77 K and 1 bar), although their structures are interpenetrating. Furthermore, this work reveals that the adsorbate–adsorbent interaction plays a more important role in the gas‐adsorption properties of these samples at low pressure, whereas the effects of the pore volumes and surface areas dominate the gas‐adsorption properties at high pressure.
Enhanced Photocatalytic Hydrogen‐Production Performance of Graphene–ZnxCd1−xS Composites by Using an Organic S Source
Authors: Li Qin , Meng Huan , Yu Jiaguo , Xiao Wei , Zheng Yingqiu , Wang Juan
Published: December 2013

In response to the increasing concerns over energy and environmental sustainability, photocatalytic water‐splitting technology has attracted broad attention for its application in directly converting solar energy to valuable hydrogen (H2) energy. In this study, high‐efficiency visible‐light‐driven photocatalytic H2 production without the assistance of precious‐metal cocatalysts was achieved on graphene–ZnxCd1−xS composites with controlled compositions. The graphene‐ZnxCd1−xS composites were for the first time fabricated by a one‐step hydrothermal method with thiourea as an organic S source. It was found that thiourea facilitates heterogeneous nucleation of ZnxCd1−xS and in situ growth of ZnxCd1−xS nanoparticles on graphene nanosheets. Such a scenario results in abundant and intimate interfacial contact between graphene and ZnxCd1−xS nanoparticles, efficient transfer of the photogenerated charge carriers, and enhanced photocatalytic activity for H2 production. The highest H2‐production rate of 1.06 mmol h−1 g−1 was achieved on a graphene–Zn0.5Cd0.5S composite photocatalyst with a graphene content of 0.5 wt %, and the apparent quantum efficiency was 19.8 % at 420 nm. In comparison, the graphene–ZnxCd1−xS composite photocatalyst prepared by using an inorganic S source such as Na2S exhibited much lower activity for photocatalytic H2 production. In this case, homogeneous nucleation of ZnxCd1−xS becomes predominant and results in insufficient and loose contact with the graphene backbone through weak van der Waals forces and a large particle size. This study highlights the significance of the choice of S source in the design and fabrication of advanced graphene‐based sulfide photocatalytic materials with enhanced activity for photocatalytic H2 production.
Towards Ideal Synthesis: Alkenylation of Aryl CH Bonds by a Fujiwara–Moritani Reaction
Authors: Zhou Lihong , Lu Wenjun
Published: December 2013

An overview of recent progress in the Fujiwara–Moritani reaction, which is the palladium‐catalyzed oxidative coupling of arenes with olefins to afford alkenyl arenes, is described. It is emphasized that regioselectivity on aryl ortho‐ or meta‐CH activation could be controlled very well in the presence of Pd, Rh, or Ru catalysts with the assistance of various chelation groups on aromatic rings in this coupling reaction. Catalytic alkenylation of aryl CH bonds from simple arenes is also discussed, especially from electron‐deficient arenes. These advanced protocols would not only make the Fujiwara–Moritani reaction more useful and applicable in organic synthesis but also light the way for the further development of the functionalization of normal CH bonds.
ChemInform Abstract: Na8Au9.8(4)Ga7.2 and Na17Au5.87(2)Ga46.63: The Diversity of Pseudo 5‐Fold Symmetries in the Na—Au—Ga System.
Authors: Smetana Volodymyr , Corbett John D. , Miller Gordon J.
Published: December 2013

The Na‐rich part of the title system contains the new ternary phases Na8Au9.8Ga7.2 (I) and Na17Au5.87Ga46.63 (II), which are characterized by single crystal XRD and LMTO‐ASA calculations.
ChemInform Abstract: Evasive Neutral 2‐Aza‐Cope Rearrangements. Kinetic and Computational Studies with Cyclic Nitrones.
Authors: Delso Ignacio , Melicchio Alessandro , Isasi Arantzazu , Tejero Tomas , Merino Pedro
Published: December 2013

2‐Aza‐Cope rearrangements under neutral conditions are investigated by kinetic 1H NMR experiments.
ChemInform Abstract: Rh‐Catalyzed Sulfonic Acid Group Directed ortho C—H Olefination of Arenes.
Authors: Dong Yi , Liu Gang
Published: December 2013

A sulfonic acid directed ortho aromatic olefination catalyzed by a rhodium complex is described.
ChemInform Abstract: Vanadium‐Catalyzed Deoxydehydration of Glycols.
Authors: Chapman Garry Jr. , Nicholas Kenneth M.
Published: December 2013

Sodium sulfite is also applicable as reductant.
ChemInform Abstract: Low Impact Synthesis of β‐Nitroacrylates under Fully Heterogeneous Conditions.
Authors: Palmieri Alessandro , Gabrielli Serena , Ballini Roberto
Published: December 2013

The solvent‐free acetylation of nitroalcohols (I) followed by elimination of acetic acid leads to desired β‐nitroacrylates (II) in high yields.
ChemInform Abstract: Easy Access to Enamides: A Mild Nickel‐Catalyzed Alkene Isomerization of Allylamides.
Authors: Wang Lu , Liu Chao , Bai Ruopeng , Pan Yani , Lei Aiwen
Published: December 2013

Various substituted N‐allyl‐amides, such as (I), (IV), (VI), and (VIII), are found to be suitable substrates for the isomerization.
ChemInform Abstract: Rhodium‐Catalyzed Directed C—H Cyanation of Arenes with N‐Cyano‐N‐phenyl‐p‐toluenesulfonamide.
Authors: Gong Tian‐Jun , Xiao Bin , Cheng Wan‐Min , Su Wei , Xu Jun , Liu Zhao‐Jing , Liu Lei , Fu Yao
Published: December 2013

A Rh‐catalyzed directed C—H cyanation reaction for the synthesis of aromatic nitriles using N‐cyano‐N‐phenyl‐p‐toluenesulfonamide, as a user‐friendly cyanation reagent is developed.
ChemInform Abstract: Combination of Enzyme‐ and Lewis Acid‐Catalyzed Reactions: A New Method for the Synthesis of 6,7‐Dihydrobenzofuran‐4(5H)‐ones Starting from 2,5‐Dimethylfuran and 1,3‐Cyclohexanediones.
Authors: Asta Chimene , Schmidt Dietmar , Conrad Juergen , Frey Wolfgang , Beifuss Uwe
Published: December 2013

The (Z)‐hexenedione (I), previously obtained by laccase‐promoted cleavage of 2,5‐dimethylfuran undergoes Gd‐catalyzed reaction with diones (II) to form dihydrobenzofurans (III).
ChemInform Abstract: Reaction of 1,1,1‐Trihalo‐3‐nitrobut‐2‐enes with Enamines Derived from Cycloalkanones. Rearrangement of Trifluoromethylated 1,2‐Oxazine N‐Oxide into 1‐Pyrroline N‐Oxides and Stereochemistry of the Products.
Authors: Korotaev V. Yu. , Barkov A. Yu. , Slepukhin P. A. , Sosnovskikh V. Ya.
Published: December 2013

1,2‐Oxazine N‐oxides [cf.
ChemInform Abstract: A Facile One Pot Synthesis of Substituted Pyrazole Derivatives.
Authors: Haouas Amel , Ben Hamadi Naoufel , Nsira Asma , Msadek Moncef
Published: December 2013

An effective approach to a novel class of highly substituted pyrazoles (III) (9 examples) via 1,3‐cycloaddition reaction between 2‐arylidenebenzofuranone derivatives (II) and aryldiazomethane is developed.
ChemInform Abstract: Facile Synthesis of Benzotriazole Derivatives Using Nanoparticles of Organosilane‐Based Nitrite Ionic Liquid Immobilized on Silica and Two Room‐Temperature Nitrite Ionic Liquids.
Authors: Valizadeh Hassan , Gholipour Hamid , Mahmoodian Manzar
Published: December 2013

The room‐temperature task‐specific nitrite ionic liquids SPIN and salts (III) are found to be effective nitrosonium sources for the preparation of benzotriazole derivatives (II) from 1,2‐diaminobenzene derivatives.
ChemInform Abstract: Survey of Reactivity of Some Enolates with Pentafluoropyridine and 4‐Phenylsulfonyl‐2,3,5,6‐tetrafluoropyridine.
Authors: Ranjbar‐Karimi Reza , Heidari Effat
Published: December 2013

The reaction of pentafluoropyridine with enolates takes place at the 4‐position of the pyridine ring [cf.
ChemInform Abstract: Shedding Light on Broensted Acid Catalysis — A Photocyclization—Reduction Reaction for the Asymmetric Synthesis of Tetrahydroquinolines from Aminochalcones in Batch and Flow.
Authors: Liao Hsuan‐Hung , Hsiao Chien‐Chi , Sugiono Erli , Rueping Magnus
Published: December 2013

A highly enantioselective synthesis of substituted tetrahydroquinolines (II) is accomplished via a new photocyclization ‐ Broensted acid catalyzed asymmetric reduction sequence of substituted 2‐aminochalcones (I).
ChemInform Abstract: Photochemical Control of DNA Structure Through Radical Disproportionation
Authors: San Pedro Joanna Maria N. , Greenberg Marc M.
Published: December 2013

An aryl sulfide‐containing 5,6‐dihydropyrimidine (I) is irradiated at 350 nm and gives thymidine and trapping by‐products.
ChemInform Abstract: Synthesis of Fluorinated Pyrimidinones.
Authors: Kosobokov Mikhail D. , Struchkova Marina I. , Arkhipov Dmitry E. , Korlyukov Alexander A. , Dilman Alexander D.
Published: December 2013

Fluorinated pyrimidinones are constructed in two steps from cyanodifluoromethyl‐substituted amines and isocyanates.
ChemInform Abstract: Design, Synthesis and Biological Evaluation of Novel Triaryl (Z)‐Olefins as Tamoxifen Analogues.
Authors: Abdellatif Khaled R. A. , Belal Amany , Omar Hany A.
Published: December 2013

The title compounds (V) are obtained by a McMurry olefination reaction.
ChemInform Abstract: Generation of 4‐((Trifluoromethyl)thio)‐2H‐benzo[e][1,2]thiazine 1,1‐Dioxides via a Reaction of Trifluoromethanesulfanylamide with 2‐(2‐Alkynyl)benzenesulfonamide.
Authors: Xiao Qing , Sheng Jie , Chen Zhiyuan , Wu Jie
Published: December 2013

The reaction is conducted under mild conditions.
ChemInform Abstract: A Dual Lewis Base Activation Strategy for Enantioselective Carbene‐Catalyzed Annulations.
Authors: Izquierdo Javier , Orue Ane , Scheidt Karl A.
Published: December 2013

This new dual Lewis base activation strategy allows combination of unsaturated aldehydes with o‐quinone methides in an enantioselective formal [4 + 3] fashion producing seven‐membered lactones.
ChemInform Abstract: Promotion Effect of Constituents from the Root of Polygonum multiflorum on Hair Growth
Authors: Sun Ya Nan , Cui Long , Li Wei , Yan Xi Tao , Yang Seo Young , Kang Jung Il , Kang Hee Kyoung , Kim Young Ho
Published: December 2013

isolation of the two new compounds (I) and (II) along with eight known compounds and evaluation of their promotion effects on hair growth
ChemInform Abstract: Salt Melt Synthesis of Ceramics, Semiconductors and Carbon Nanostructures
Authors: Liu Xiaofeng , Fechler Nina , Antonietti Markus
Published: December 2013

Review: 201 refs.
ChemInform Abstract: Nanochemistry and Nanomaterials for Photovoltaics
Authors: Chen Guanying , Seo Jangwon , Yang Chunhui , Prasad Paras N.
Published: December 2013

Review: 417 refs.
ChemInform Abstract: Rare Earth—Transition Metal—Cadmium Intermetallics ‐ Crystal Chemistry and Physical Properties
Authors: Tappe Frank , Poettgen Rainer
Published: December 2013

Review: 90 refs.
ChemInform Abstract: Recent Advances in Sodium Intercalation Positive Electrode Materials for Sodium Ion Batteries
Authors: Xu Jing , Lee Dae Hoe , Meng Ying Shirley
Published: December 2013

Review: 61 refs.
ChemInform Abstract: Insights into Metalloenzyme Microenvironments: Biomimetics Metal Complexes with a Functional Second Coordination Sphere
Authors: Zhao Meng , Wang Hai‐Bo , Ji Liang‐Nian , Mao Zong‐Wan
Published: December 2013

Review: 111 refs.
ChemInform Abstract: Cationic, Two‐Coordinate Gold π Complexes
Authors: Brooner Rachel E. M. , Widenhoefer Ross A.
Published: December 2013

Review: recent work with a focus on the structure, bonding, and ligand exchange behavior of the title gold complexes; 85 refs.
ChemInform Abstract: Transfer of Sulfur: From Simple to Diverse
Authors: Liu Hui , Jiang Xuefeng
Published: December 2013

Review: summary on C—S bond‐formation reactions that have been used to construct C—S bonds in natural products and pharmaceutical compounds; 103 refs.
ChemInform Abstract: Site‐Selective Reactions Exploiting Intramolecularity
Authors: Beauchemin Andre M.
Published: December 2013

Review: 9 refs.
ChemInform Abstract: Synthesis of Binaphthyl Based Monophosphorus Ligands
Authors: Pereira Mariette M. , Abreu Artur R. , Calvete Mario J. F. , Carrilho Rui M. B.
Published: December 2013

Review: 173 refs.
ChemInform Abstract: Asymmetric C(sp2)—H Activation
Authors: Wencel‐Delord Joanna , Colobert Francoise
Published: December 2013

Review: 75 refs.
ChemInform Abstract: Coordination Polymers of Small Cyano Anions
Authors: Batten Stuart R. , Deacon Glen B. , Murray Keith S. , Turner David R.
Published: December 2013

Review: 39 refs.
ChemInform Abstract: Square Grid and Pillared Square Grid Coordination Polymers ‐ Fertile Ground for Crystal Engineering of Structure and Function
Authors: Burd Stephen D. , Nugent Patrick S. , Mohamed Mona H. , Elsaidi Sameh K. , Zaworotko Michael J.
Published: December 2013

Review: 95 refs.
Energy Transfer at the Zeolite L Boundaries: Towards Photo‐ and Electroresponsive Materials
Authors: Cucinotta Fabio , Guenet Aurélie , Bizzarri Claudia , Mróz Wojciech , Botta Chiara , Milián‐Medina Begoña , Gierschner Johannes , De Cola Luisa
Published: December 2013

A series of iridium(III) compounds have been used as stopper molecules at the pore openings of zeolite L and act as effective donor units for transferring excitation energy to dye molecules entrapped within the zeolite channels. The synthesis and photophysical characterization of the new iridium(III) complexes are described, along with Förster resonance energy‐transfer experiments. Transfer efficiencies for the studied systems are discussed on the basis of the role played by the localization of the donor excited state and the acceptor distribution in the channels. Because iridium(III) complexes can also be electrically excited, the electroluminescent behavior of donor–acceptor zeolite systems can be explored, by embedding them into a polymeric active layer and constructing light‐emitting devices (LEDs). Novel hybrid LEDs can be fabricated with emission from the dyes entrapped into the zeolites and sensitized by the electro‐responsive iridium(III) complex.
On the predictability of next generation mobile network traffic using artificial neural networks
Authors: Loumiotis I. , Adamopoulou E. , Demestichas K. , Stamatiadi T. , Theologou M.
Published: December 2013

Though the introduction of the new 4th Generation mobile access technologies promises to satisfy the increasing bandwidth demand of the end‐users, it poses in parallel the need for novel resource management approaches at the side of the base station. To this end, schemes that try to predict the forthcoming bandwidth demand using supervised learning methods have been proposed in the literature. However, there are still open issues concerning the training phase of such methods. In the current work, the authors propose a novel scheme that dynamically selects a proper training set for artificial neural network prediction models, based on the statistical characteristics of the collected data. It is demonstrated that an initial statistical processing of the collected data and the subsequent selection of the training set can efficiently improve the performance of the prediction model. Finally, the proposed scheme is validated using network traffic collected by real, fully operational base stations. Copyright © 2013 John Wiley & Sons, Ltd.
Is the hibiscus harlequin bug aposematic? The importance of testing multiple predators
Authors: Fabricant Scott A. , Smith Carolynn L.
Published: December 2013

Aposematism involves predators learning conspicuous signals of defended prey. However, prey species utilize a wide range of chemical (or physical) defenses, which are not likely to be equally aversive to all predators. Aposematism may therefore only be effective against a physiologically sensitive subset of potential predators, and this can only be identified through behavioral testing. We studied the emerging model organism Tectocoris diophthalmus (Heteroptera: Scutelleridae), an aposematically colored but weakly defended shieldback stinkbug, to test the efficacy of its defenses against a suite of predator types. We predicted the bugs' defenses would be ineffectual against both experienced and naïve birds but aversive to predaceous insects. Surprisingly, the opposite pattern was found. Both habituated wild passerines and naïve chickens avoided the bugs, the chickens after only one or two encounters. To avian predators, T. diophthalmus is aposematic. However, praying mantids showed no repellency, aversion, or toxicity associated with adult or juvenile bugs after multiple trials. Comparison with prior studies on mantids using bugs with chemically similar but more concentrated defenses underscores the importance of dose in addition to chemical identity in the efficacy of chemical defenses. Our results also emphasize the importance of behavioral testing with multiple ecologically relevant predators to understand selective pressures shaping aposematic signals and chemical defenses.
Electrochromic Switching and Microkinetic Behaviour of Oxazine Derivatives and Their Applications
Authors: Zhu Shaoyin , Li Minjie , Tang Sicheng , Zhang Yu‐Mo , Yang Bing , Zhang Sean Xiao‐An
Published: December 2013

Detailed electrochromic properties including the microkinetic switching behaviour of 2‐nitro‐ (P1) and 2,8‐dinitro‐5a‐[2‐(4‐dimethylaminophenyl)ethylene]‐6,6‐dimethyl‐5a,6‐dihydro‐12H‐indolo[2,1‐b][1,3]benzooxazine (P2) were investigated in both solution and indium tin oxide (ITO) devices with a dual‐wavelength time‐dependent spectra monitoring method for the first time. These two oxazine derivatives displayed improved fatigue resistance and colour reversibility towards electrical stimulation compared with conventional spiropyran derivatives. A new electrochromic mechanism was proposed based on the experimental results and on quantum chemical calculations. Owing to an electron‐withdrawing group para to the nitrogen of the indole fragment, P2 demonstrates better electro‐driven reversibility of structural transformation between ring‐open and ring‐closed isomers than P1.
Polytopic Bis(oxazoline)‐Based Ligands for the Development of Recoverable Catalytic Systems Applied to the Cyclopropanation Reaction
Authors: García José I. , García Jaime , Herrerías Clara I. , Mayoral José A. , Miñana Ana C. , Sáenz Carlos
Published: December 2013

New ditopic and tetratopic chiral ligands, based on the bis(oxazoline) moiety, have been synthesized and their copper complexes tested as catalysts in the benchmark asymmetric cyclopropanation reaction of styrene with ethyl diazoacetate. The polytopic nature of these ligands enables a release–capture strategy to efficiently recycle the enantioselective catalyst by precipitation of a coordination polymer at the end of the reaction. This strategy enables the self‐supported catalyst to be reused up to 20 times leading to good yields and enantioselectivities.
Us and them: Mood effects on ingroup projection
Authors: Machunsky Maya , Meiser Thorsten
Published: December 2013

Mood states affect judgments in general and intergroup judgments in particular. The aim of the present research was to show that ingroup projection is influenced by affective states in a similar way as ingroup bias. Varying mood states and relevance of the intergroup situation orthogonally, the results supported the hypotheses that positive mood in conjunction with low relevance and negative mood in conjunction with high relevance elicit higher levels of biased prototypicality perceptions compared to the other conditions of the design. Given substantial evidence from previous research that mood in conjunction with perceived relevance moderates motivated versus heuristic processing, we propose that the present results correspond with motivation‐ versus cognition‐based ingroup projection and suggest different processes underlying the phenomenon of relative ingroup prototypicality. Copyright © 2013 John Wiley & Sons, Ltd.
Population Health Impact and Cost-Effectiveness of Monitoring Inactive Chronic Hepatitis B and Treating Eligible Patients in Shanghai, China
Authors: Toy Mehlika , Salomon Joshua A. , Jiang Hao , Gui Honglian , Wang Hui , Wang Jiangshe , Richardus Jan Hendrik , Xie Qing
Published: December 2013

Inactive chronic hepatitis B (CHB) carriers make up the largest group of hepatitis B virus-infected patients, and China bears the largest total CHB burden of any country. We therefore assessed the population health impact and cost-effectiveness of a strategy of lifelong monitoring for inactive CHB and treatment of eligible patients in Shanghai, China. We used a computer simulation model to project health outcomes among a population cohort of CHB based on age-specific prevalence of hepatitis B surface antigen (HBsAg), hepatitis B e antigen (HBeAg), and cirrhosis. Using a Markov model we simulated patients' progression through a discrete series of health states, and compared current practice to a monitor and treat (M&T) strategy. We measured lifetime costs and quality-adjusted life years (QALYs) (both discounted at 3% per year), incremental cost-effectiveness ratios (ICERs), and clinical outcomes such as development of hepatocellular carcinoma (HCC). We estimated that there are 1.5 million CHB-infected persons in Shanghai. The M&T strategy costs US$20,730 per patient and yields a discounted QALY of 15.45, which represents incremental costs and health benefits of US$275 and 0.10 QALYs compared to current practice, and an ICER of US$2,996 per QALY gained. In the base case, we estimated that the M&T strategy will reduce HCC and CHB-related mortality by only around 1%. If variables such as adherence to monitoring and treatment could be substantially improved the M&T strategy could reduce HCC by 70% and CHB-related mortality by 83%.

Conclusion :

Lifelong monitoring of inactive CHB carriers is cost-effective in Shanghai according to typical benchmarks for value for money, but achieving substantial population-level health gains depends on identifying more CHB-infected cases in the population, and increasing rates of treatment, monitoring, and treatment adherence. (Hepatology 2014;60:46–55)
Analysis of Gaseous Flow Between Parallel Plates by Second‐ Order Velocity Slip and Temperature Jump Boundary Conditions
Authors: Kushwaha Hari Mohan , Sahu S.K.
Published: December 2013

In this study the momentum and energy equations are solved to analyze the flow between two parallel plates by employing second‐order velocity slip and temperature jump conditions. The flow is considered to be laminar, incompressible, hydrodynamically/thermally fully developed, and steady state. In addition to the isoflux condition, viscous dissipation is included in the analysis. Closed form expressions for the temperature field and Nusselt number are obtained as a function of the Knudsen number and Brinkman number. The Nusselt number obtained by employing the second‐order model is found to be lower compared to the continuum value and agrees well with the other theoretical models. © 2013 Wiley Periodicals, Inc. Heat Trans Asian Res; Published online in Wiley Online Library (wileyonlinelibrary.com/journal/htj). DOI 10.1002/htj.21116
Efficient computation of root mean square deviations under rigid transformations
Authors: Hildebrandt Anna K. , Dietzen Matthias , Lengauer Thomas , Lenhof Hans‐Peter , Althaus Ernst , Hildebrandt Andreas
Published: December 2013

The computation of root mean square deviations (RMSD) is an important step in many bioinformatics applications. If approached naively, each RMSD computation takes time linear in the number of atoms. In addition, a careful implementation is required to achieve numerical stability, which further increases runtimes. In practice, the structural variations under consideration are often induced by rigid transformations of the protein, or are at least dominated by a rigid component. In this work, we show how RMSD values resulting from rigid transformations can be computed in constant time from the protein's covariance matrix, which can be precomputed in linear time. As a typical application scenario is protein clustering, we will also show how the Ward‐distance which is popular in this field can be reduced to RMSD evaluations, yielding a constant time approach for their computation. © 2014 Wiley Periodicals, Inc.
One‐Pot Microwave‐Assisted Synthesis of Benzopyrano[2,3‐c]pyrazol‐3‐one Derivatives
Authors: Chen Pei , Li Yan , Chen Xinbing , An Zhongwei , Xu Yiwei , He Xiaojun
Published: December 2013

A convenient one‐pot microwave‐assisted synthesis of Benzopyrano[2,3‐c]pyrazol‐3‐one derivatives was developed, where Knoevenagel condensation and hydrazinolysis reactions were continuously performed under microwave irradiation without separation and purification of the intermediates until the last cyclocondensation reaction except the substrates addition. The one‐pot procedure exhibited shorter reaction times and higher yields (25–55%) of the objects than the conventional heating method.
In situ microanalysis of organic colorants by inkjet colloid deposition surface‐enhanced Raman scattering
Authors: Benedetti Dario P. , Zhang Jie , Tague Thomas J. , Lombardi John R. , Leona Marco
Published: December 2013

We present a new method for the minimally invasive in situ identification of inks and colorants on documents and other objects on the basis of the deposition of silver colloid nanodroplets on a region of interest in the objects to be tested using inkjet technology. By adapting commercially available thermal and piezoelectric inkjet heads, volumes of silver colloid in the 60–220 picoliters range (corresponding to impact diameters in the range of 50–150 µm) can be delivered onto substrates with great accuracy and precision. We demonstrate that the instantaneous superheating of the colloid in the thermal print head does not adversely affect the surface‐enhanced Raman spectroscopy efficiency of the Ag nanoparticles. Furthermore, by mounting a compact piezoelectric inkjet head within a large‐stage Raman microscope, we developed an instrument where all phases of surface‐enhanced Raman spectroscopy microanalysis are integrated, with great advantages in sample handling, spatial accuracy, and colloid delivery reproducibility. The approach can be considered functionally nondestructive as the amount of silver delivered, and the area affected are too small to be detected by visual observation, and in most conditions, even by optical microscopy. The method was successfully applied to the analysis of textile fibers, gel pen ink writing on paper, and a Japanese woodblock print dating to the end of the 19th century. Copyright © 2013 John Wiley & Sons, Ltd.