bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Palladium‐Catalyzed Asymmetric Addition of Diarylphosphines to α,β‐Unsaturated Sulfonic Esters for the Synthesis of Chiral Phosphine Sulfonated Compounds.
Authors: Lu Junzhu , Ye Jinxing , Duan Wei‐Liang
Published: February 2014

The enantioselective addition of diarylphosphines to α,β‐unsaturated sulfonic esters is developed using the PCP pincer‐Pd complex as catalyst.
ChemInform Abstract: A Mild, Selective Copper‐Catalyzed Oxidative Phosphonation of α‐Amino Ketones.
Authors: Yang Bin , Yang Ting‐Ting , Li Xi‐An , Wang Jun‐Jiao , Yang Shang‐Dong
Published: February 2014

A simple process for the Cu(II)‐catalyzed oxidative phosphonation of α‐amino‐carbonyl compounds to yield imidoylphosphonates is described.
ChemInform Abstract: Total Syntheses of (+)‐Valiolamine (I) and (—)‐1‐epi‐Valiolamine (II) from Naturally Abundant (—)‐Shikimic Acid
Authors: Quan Na , Nie Liang‐Deng , Zhu Rui‐Heng , Shi Xiao‐Xin , Ding Wei , Lu Xia
Published: February 2014

compounds (I) and (II) are synthesized in 48% and 41% overall yield in seven steps
ChemInform Abstract: Total Synthesis of the Antifungal Natural Product Mollisin.
Authors: Schwolow Sonja , Kunz Horst , Rheinheimer Joachim , Opatz Till
Published: February 2014

The title compound is synthesized in nine steps from commercially available 2,6‐dimethyl‐γ‐pyrone in an overall yield of 9%.
ChemInform Abstract: Green Synthesis of Platinum Nanoparticles by Electroreduction of a K2PtCl6 Solid‐State Precursor and Its Electrocatalytic Effects on H2O2 Reduction.
Authors: Kim Kyung Tae , Jin Sung‐Ho , Chang Seung‐Cheol , Park Deog‐Su
Published: February 2014

Pt nanoparticles are prepared by electrochemical reduction of solid K2PtCl6‐supported polyethyleneimine coatings on a glassy carbon electrode in a phosphate buffer (pH 7.4).
ChemInform Abstract: Composition and Morphology Investigation of NiCoB Nanoparticles, as‐Prepared and Coated by SiO2.
Authors: Loncarek Ivana , Tonejc Andelka M. , Skoko Zeljko , Novosel Nikolina , Mustapic Mislav , Zadro Kreso
Published: February 2014

Silica‐coated NiCoB nanoparticles are prepared by chemical reduction of Ni(NO3)2 and CoCl2 by KBH4 in EtOH/H2O (argon, 273 K).
ChemInform Abstract: Graphene Analogues of Inorganic Layered Materials
Authors: Rao C. N. R. , Ramakrishna Matte H. S. S. , Maitra Urmimala
Published: February 2014

Review: 204 refs.
ChemInform Abstract: Plasmon‐Mediated Syntheses of Metallic Nanostructures
Authors: Langille Mark R. , Personick Michelle L. , Mirkin Chad A.
Published: February 2014

Review: focus on Ag nanoparticles and Ag—Au bimetallic structures; 203 refs.
ChemInform Abstract: Materials Chemistry in 3D Templates for Functional Photonics
Authors: Braun Paul V.
Published: February 2014

Review: 74 refs.
ChemInform Abstract: A Perspective on Mesoporous TiO2 Materials
Authors: Li Wei , Wu Zhangxiong , Wang Jinxiu , Elzatahry Ahmed A. , Zhao Dongyuan
Published: February 2014

Review: 107 refs.
ChemInform Abstract: The Thiol‐Michael Addition Click Reaction: A Powerful and Widely Used Tool in Materials Chemistry
Authors: Nair Devatha P. , Podgorski Maciej , Chatani Shunsuke , Gong Tao , Xi Weixian , Fenoli Christopher R. , Bowman Christopher N.
Published: February 2014

Review: 141 refs.
ChemInform Abstract: Synthesis of Heterocyclic Scaffolds with Antihyperlipidemic Potential
Authors: Kale Mayura , Patwardhan Kalyani
Published: February 2014

Review: 69 refs.
ChemInform Abstract: Recent Advances in Transition‐Metal‐Catalyzed C‐S Activation: From Thioester to (Hetero)aryl Thioether
Authors: Pan Fei , Shi Zhang‐Jie
Published: February 2014

Review: 103 refs.
ChemInform Abstract: Separated Tandem Catalysis. It′s About Time
Authors: Abou‐Shehada Sarah , Williams Jonathan M. J.
Published: February 2014

Review: 10 refs.
ChemInform Abstract: Transition‐Metal‐Catalyzed Allylic Substitution Reactions: Stereoselective Construction of α‐ and β‐Substituted Carbonyl Compounds
Authors: Oliver Samuel , Evans P. Andrew
Published: February 2014

Review: 116 refs.
ChemInform Abstract: Intriguing Mechanistic Labyrinths in Gold(I) Catalysis
Authors: Obradors Carla , Echavarren Antonio M.
Published: February 2014

Review: 131 refs.
ChemInform Abstract: C—H Nitrogenation and Oxygenation by Ruthenium Catalysis
Authors: Thirunavukkarasu Vedhagiri S. , Kozhushkov Sergei I. , Ackermann Lutz
Published: February 2014

Review: 44 refs.
ChemInform Abstract: Recent Advances in Amino Acid N‐Carboxyanhydrides and Synthetic Polypeptides: Chemistry, Self‐Assembly and Biological Applications
Authors: Lu Hua , Wang Jing , Song Ziyuan , Yin Lichen , Zhang Yanfeng , Tang Haoyu , Tu Chunlai , Lin Yao , Cheng Jianjun
Published: February 2014

Review: 171 refs.
ChemInform Abstract: Carbonic Acid: Molecule, Crystal and Aqueous Solution
Authors: Reddy Sandeep K. , Balasubramanian Sundaram
Published: February 2014

Review: 71 refs.
ChemInform Abstract: High Hydrostatic Pressure: A Probing Tool and a Necessary Parameter in Biophysical Chemistry
Authors: Meersman Filip , McMillan Paul F.
Published: February 2014

Review: 110 refs.
ChemInform Abstract: Eutectics as Improved Pharmaceutical Materials: Design, Properties and Characterization
Authors: Cherukuvada Suryanarayan , Nangia Ashwini
Published: February 2014

Review: 92 refs.
ChemInform Abstract: Recent Advances in Cooperative Bimetallic Asymmetric Catalysis: Dinuclear Schiff Base Complexes
Authors: Matsunaga Shigeki , Shibasaki Masakatsu
Published: February 2014

Review: 62 refs.
ChemInform Abstract: Applications of Pentafluorophenyl Boron Reagents in the Synthesis of Heterocyclic and Aromatic Compounds
Authors: Melen Rebecca L.
Published: February 2014

Review: 74 refs.
ChemInform Abstract: Tetrahydrofuran Amino Acids of the Past Decade
Authors: Rjabovs Vitalijs , Turks Maris
Published: February 2014

Review: syntheses of THF α‐, β‐, γ‐, δ‐ and longer chain amino acids; 78 refs.
ChemInform Abstract: Gas Solubility in Ionic Liquids
Authors: Lei Zhigang , Dai Chengna , Chen Biaohua
Published: February 2014

Review: 355 refs.
ChemInform Abstract: File and Data Repositories for Next Generation CALPHAD
Authors: Campbell C. E. , Kattner U. R. , Liu Z.‐K.
Published: February 2014

Review: 21 refs.
ChemInform Abstract: CALPHAD, First and Second Generation — Birth of the Materials Genome
Authors: Kaufman Larry , Agren John
Published: February 2014

Review: 33 refs.
ChemInform Abstract: Ligands of the Neuropeptide Y Y2 Receptor
Authors: Mittapalli Gopi Kumar , Roberts Edward
Published: February 2014

Review: 64 refs.
ChemInform Abstract: Acetylcholinesterase Inhibitors as Alzheimer Therapy: From Nerve Toxins to Neuroprotection
Authors: Singh Manjinder , Kaur Maninder , Kukreja Hitesh , Chugh Rajan , Silakari Om , Singh Dhandeep
Published: February 2014

Review: 203 refs.
ChemInform Abstract: Hydrocarbon Separations in Metal—Organic Frameworks
Authors: Herm Zoey R. , Bloch Eric D. , Long Jeffrey R.
Published: February 2014

Review: 215 refs.
ChemInform Abstract: Will Solar‐Driven Water‐Splitting Devices See the Light of Day?
Authors: McKone James R. , Lewis Nathan S. , Gray Harry B.
Published: February 2014

Review: 118 refs.
ChemInform Abstract: Self‐Assembled Selenium Monolayers: From Nanotechnology to Materials Science and Adaptive Catalysis.
Authors: Romashov Leonid V. , Ananikov Valentine P.
Published: February 2014

Review: <100 refs.
ChemInform Abstract: Oxyfuel CFBC: Status and Anticipated Development
Authors: Anthony E. J.
Published: February 2014

Review: 43 refs.
ChemInform Abstract: Low‐Temperature Spectroscopy of Organic Molecules in Solid Matrices: From the Shpol′skii Effect to Laser Luminescent Spectromicroscopy for All Effectively Emitting Single Molecules
Authors: Naumov A. V.
Published: February 2014

Review: 175 refs.
Hierarchical Hybrid Peroxidase Catalysts for Remediation of Phenol Wastewater
Authors: Duan Xiaonan , Corgié Stéphane C. , Aneshansley Daniel J. , Wang Peng , Walker Larry P. , Giannelis Emmanuel P.
Published: February 2014

We report a new family of hierarchical hybrid catalysts comprised of horseradish peroxidase (HRP)–magnetic nanoparticles for advanced oxidation processes and demonstrate their utility in the removal of phenol from water. The immobilized HRP catalyzes the oxidation of phenols in the presence of H2O2, producing free radicals. The phenoxy radicals react with each other in a non‐enzymatic process to form polymers, which can be removed by precipitation with salts or condensation. The hybrid peroxidase catalysts exhibit three times higher activity than free HRP and are able to remove three times more phenol from water compared to free HRP under similar conditions. In addition, the hybrid catalysts reduce substrate inhibition and limit inactivation from reaction products, which are common problems with free or conventionally immobilized enzymes. Reusability is improved when the HRP–magnetic nanoparticle hybrids are supported on micron‐scale magnetic particles, and can be retained with a specially designed magnetically driven reactor. The performance of the hybrid catalysts makes them attractive for several industrial and environmental applications and their development might pave the way for practical applications by eliminating most of the limitations that have prevented the use of free or conventionally immobilized enzymes.
Pickering‐Emulsion Inversion Strategy for Separating and Recycling Nanoparticle Catalysts
Authors: Yu Yuhong , Fu Luman , Zhang Fengwei , Zhou Ting , Yang Hengquan
Published: February 2014

With the recent advances in nanoscience and nanotechnology, more and more nanoparticle catalysts featuring high accessibility of active sites and high surface area have been explored for their use in various chemical transformations, and their rise in popularity among the catalysis community has been unprecedented. The industrial applications of these newly discovered catalysts, however, are hampered because the existing methods for separation and recycling, such as filtration and centrifugation, are generally unsuccessful. These limitations have prompted development of new methods that facilitate separation and recycling of nanoparticle catalysts, so as to meet the burgeoning demands of green and sustainable chemistry. Recently, we have found that Pickering‐emulsion inversion is an appealing strategy with which to realize in situ separation and recycling of nanoparticle catalysts and thereby to establish sustainable catalytic processes. We feel that at such an early stage, this strategy, as an alternative to conventional methods, is conceptually new for readers but that it has potential to become a popular method for green catalysis. This Concept article aims to provide a timely link between previous efforts and both current and future research on nanoparticle catalysts, and is expected to facilitate further investigation into this strategy.
Enantiodifferentiation through Frequency‐Selective Pure‐Shift 1H Nuclear Magnetic Resonance Spectroscopy
Authors: Castañar Laura , Pérez‐Trujillo Míriam , Nolis Pau , Monteagudo Eva , Virgili Albert , Parella Teodor
Published: February 2014

A frequency‐selective 1D 1H nuclear magnetic resonance (NMR) experiment for the fast and sensitive determination of chemical‐shift differences between overlapped resonances is proposed. The resulting fully homodecoupled 1H NMR resonances appear as resolved 1D singlets without their typical J(HH) coupling constant multiplet structures. The high signal dispersion that is achieved is then exploited in enantiodiscrimination studies by using chiral solvating agents.
Fast Pyrolysis of Wood for Biofuels: Spatiotemporally Resolved Diffuse Reflectance In situ Spectroscopy of Particles
Authors: Paulsen Alex D. , Hough Blake R. , Williams C. Luke , Teixeira Andrew R. , Schwartz Daniel T. , Pfaendtner Jim , Dauenhauer Paul J.
Published: February 2014

Fast pyrolysis of woody biomass is a promising process capable of producing renewable transportation fuels to replace gasoline, diesel, and chemicals currently derived from nonrenewable sources. However, biomass pyrolysis is not yet economically viable and requires significant optimization before it can contribute to the existing oil‐based transportation system. One method of optimization uses detailed kinetic models for predicting the products of biomass fast pyrolysis, which serve as the basis for the design of pyrolysis reactors capable of producing the highest value products. The goal of this work is to improve upon current pyrolysis models, usually derived from experiments with low heating rates and temperatures, by developing models that account for both transport and pyrolysis decomposition kinetics at high heating rates and high temperatures (>400 °C). A new experimental technique is proposed herein: spatiotemporally resolved diffuse reflectance in situ spectroscopy of particles (STR‐DRiSP), which is capable of measuring biomass composition during fast pyrolysis with high spatial (10 μm) and temporal (1 ms) resolution. Compositional data were compared with a comprehensive 2D single‐particle model, which incorporated a multistep, semiglobal reaction mechanism, prescribed particle shrinkage, and thermophysical properties that varied with temperature, composition, and orientation. The STR‐DRiSP technique can be used to determine the transport‐limited kinetic parameters of biomass decomposition for a wide variety of biomass feedstocks.
Organic–Inorganic Thin Films from TiCl4 and 4‐Aminophenol Precursors: A Model Case of ALD/MLD Hybrid‐Material Growth?
Authors: Sundberg Pia , Karppinen Maarit
Published: February 2014

Invited for the cover of this issue are Pia Sundberg and Maarit Karppinen from the Aalto University, Finland. The cover image shows the deposition cycle of a (Ti–O–C6H4–N=)n‐type thin film grown by a combined atomic and molecular layer deposition (ALD/MLD) technique with TiCl4 and 4‐aminophenol as precursors.
Non‐Enzymatic Electrochemical Detection of Glucose with a Gold Nanowire Array Electrode
Authors: Zhao Yue , Chu Jian , Li Shu‐Hong , Li Wen‐Wei , Liu Gang , Tian Yang‐Chao , Yu Han‐Qing
Published: February 2014

High‐performance electrodes for in vivo electrochemical detection of glucose (GO) are highly desirable. In this work, we propose a new approach to efficiently and precisely prepare a Au nanowire array electrode (ANAE) with a line width of 78 nm and a large sensor area of 60 mm×60 mm for GO detection. In this approach three techniques, i.e., vacuum sputtering‐deposition, holography photolithography, and argon ion‐beam etching, are integrated. The fabricated ANAE exhibits good performance for GO detection. A linear amperometric response to the oxidation of GO in a concentration range of 0.4–10 mM is observed. The ANAE is characterized by its high detection sensitivity, selectivity, stability and good biocompatibility. All of these make it a promising tool for GO detection and other relevant applications.
A Novel Sensor Based on Manganese azo‐Macrocycle/Carbon Nanotubes to Perform the Oxidation and Reduction Processes of Two Diphenol Isomers
Authors: Silva Saimon Moraes , de Oliveira Fernando Mota , Justino Danielle Diniz , Kubota Lauro Tatsuo , Tanaka Auro Atsushi , Damos Flavio Santos , de Cássia Silva Luz Rita
Published: February 2014

The present work describes the development of a selective and sensitive voltammetric sensor for simultaneous determination of catechol (CC) and hydroquinone (HQ), based on a glassy carbon (GC) electrode modified with manganese phthalocyanine azo‐macrocycle (MnPc) adsorbed on multiwalled carbon nanotubes (MWCNT). Scanning electron microscopy and scanning electrochemical microscopy were used to characterize the composite material (MnPc/MWCNT) on the glassy carbon electrode surface. The modified electrode showed excellent electrochemical activity towards the simultaneous oxidation and reduction of CC and HQ. On the MnPc/MWCNT/GC electrode, both CC and HQ can generate a pair of quasi‐reversible and well‐defined redox peaks. Under optimized experimental and operational conditions, the cathodic peak currents were linear over the range 1–600 µmol L−1 for both CC and HQ, with limits of detection of 0.095 and 0.041 µmol L−1, respectively. The anodic peak currents were also linear over the range 1–600 µmol L−1 for both CC and HQ, with limits of detection of 0.096 and 0.048 µmol L−1, respectively. The proposed method was effectively applied for the simultaneous detection of hydroquinone and catechol in water samples and the results were in agreement with those obtained by a comparative method described in the literature.
Preparation and Characterization of Electrodes Modified with Pyrrole Surfactant, Multiwalled Carbon Nanotubes and Metallophthalocyanines for the Electrochemical Detection of Thiols
Authors: Rangel Argote Magdalena , Sánchez Guillén Elizabeth , Gutiérrez Porras Ana Gabriela , Serrano Torres Oracio , Richard Cyrille , Zagal José H. , Bedioui Fethi , Gutierrez Granados Silvia , Griveau Sophie
Published: February 2014

Our aim was to prepare hybrid electrodes active towards the electrooxidation of thiols by the co‐immobilization of native carbon nanotubes (CNTs) and cobalt phthalocyanine (CoPc) from aqueous solutions. This strategy was adopted to avoid the oxidation of CNTs that can induce a modification of their exceptional properties. To do so, a hydrosoluble pyrrole surfactant was used to get homogeneous aqueous dispersions of CNTs and CoPc and to trap both materials on the electrode via the electropolymerization of the pyrrole surfactant. The hybrid electrodes exhibit a good electrocatalytic activity towards the oxidation of L‐cysteine and glutathione. Their performances in terms of limit of detection (0.01 mM) are compatible with the detection of these thiols in biological samples.
Determination of Trace Lead and Cadmium in Water Samples by Anodic Stripping Voltammetry with a Nafion‐Ionic Liquid‐Coated Bismuth Film Electrode
Authors: Yang Die , Wang Liang , Chen Zuliang , Megharaj Mallavarapu , Naidu Ravi
Published: February 2014

A new chemically modified bismuth film electrode coated with an ionic liquid [(1‐ethyl‐3‐methylimidazolium tetracyanoborate (EMIM TCB)] and Nafion was developed for the simultaneous determination Pb2+ and Cd2+ by anodic stripping voltammetry. Compared with conventional bismuth film electrodes, this electrode exhibited greatly improved electrochemical activity for Pb2+ and Cd2+ detection due to the unique properties of Nafion polymer and ionic liquid. The key experimental parameters related to the fabrication of the electrode and the voltammetric measurements were optimized on the basis of the stripping signals, where the peak currents increased linearly with the metal concentrations in a range of 10–120 µg L−1 with a detect limit of 0.2 µg L−1 for Pb2+, and 0.5 µg L−1 for Cd2+ for 120s deposition. High reproducibility was indicated from the relative standard deviations (1.9 and 2.5 %) for nine repetitive measurements of 20 µg L−1 Pb2+ and Cd2+, respectively. In addition, the surface characteristics of the modified BiFE were investigated by scanning electron microscopy (SEM), and results showed that fibril‐like bismuth nanostructures were formed on the porous Nafion polymer matrix. Finally, the developed electrode was applied to determine Pb2+ and Cd2+ in water samples, indicating that this electrode was sensitive, reliable and effective for the simultaneous determination of Pb2+ and Cd2+.
A pragmatic approach to the species problem from a paleontological perspective
Authors: Silcox Mary T.
Published: February 2014

The ideal scenario for paleontologists would be for the species they designate to be equivalent to the species recognized for modern animals, in the sense that they were formed as a result of the same evolutionary processes. This would mean, for example, that we could be confident that in combining extant and extinct taxa in phylogenetic analyses we would be dealing with equivalent operational taxonomic units. Notwithstanding the many thousands of pages that have been spent arguing over species concepts, the only concept that has won widespread acceptance for the designation of modern species is Mayr's Biological Species Concept (BSC).1 In fact, whenever we complete a cladistic analysis, we assume reproductive isolation of our terminal taxa because otherwise their similarities could be the product of interbreeding rather than common ancestry. Fundamentally, we all behave as though the BSC is true.
Primate taxonomy: Species and conservation
Authors: Rylands Anthony B. , Mittermeier Russell A.
Published: February 2014

Primatology as a discrete branch of science involving the study of primate behavior and ecology took off in the 1960s after discovery of the importance of primates as models for biomedical research and the realization that primates provide insights into the evolutionary history of humans. Osman Hill's unfortunately incomplete monograph series on the comparative anatomy and taxonomy of the primates1and the Napiers' 1967A Handbook of Living Primates2recorded the world's view of primate diversity at this time. This taxonomy remained the baseline for nearly three decades, with the diversity of each genus being represented by some species, but extensively as subspecies.
Gene Flow Happens
Authors: Yoder Anne D.
Published: February 2014

Debate over what is a species was already considered old hat when Darwin wrote his seminal abstract (as he called it) more than 150 years ago.1 Endless papers, workshops, and symposia have been presented in an effort to "solve" the species problem. Yet, here we are, at it again. Has there been any progress? I believe that there has been, and that among the many advances enabled by the genomics revolution, progress on species concepts and species recognition is among them. To quote Feder and colleagues,2 we are on the brink of a “unified theory of speciation genomics.”
Species in the primate fossil record
Authors: Gingerich Philip D.
Published: February 2014

Species in the fossil record are population pools of genetic and phenetic variation at a place and time, morphologically recognizable and distinguishable from others by empirical standards. Change through time can be substantial, requiring subdivision of lineages that becomes more arbitrary as they become more complete. Evolution is about form, space, and time; it is about variation and change. Interpretation of species in the fossil record touches all of these.
Self‐assembled 1–3‐type Fe:LaSrFeO4 epitaxial nanocomposite films prepared by pulsed laser deposition
Authors: Yan Q. G. , Jia Y. L. , Li X. H. , Liu Z. J. , Dai X. H. , Ma L. X. , Zhang X. Y. , Liu B. T.
Published: February 2014

Self‐assembled 1–3‐type Fe:LaSrFeO4 epitaxial nanocomposite film has been prepared using pulsed laser deposition by decomposing a ceramic La0.5Sr0.5FeO3 target in a high‐vacuum system. Impacts of deposition temperature and energy density on the evolution of the microstructure and crystallinity of the Fe:LaSrFeO4 film have been investigated. It is found that Fe nanopillars are highly c‐axis oriented at lower deposition temperature, and epitaxial at higher temperature, however, the epitaxial quality of the Fe:LaSrFeO4 film decreases if the deposition temperature is further increased. Besides the deposition temperature, the crystallinity of the Fe nanopillars can also be influenced by the energy density. Only at a specific temperature and an energy density, can high‐quality 1–3‐type Fe:LaSrFeO4 epitaxial nanocomposite film be yielded. Compared with the morphology image, the magnetic domains of Fe for the optimized sample can be clearly observed by magnetic force microscopy. Moreover, it is found that the saturation magnetization and coercivity of the sample under both field directions of parallel and perpendicular to nanowires are 1314 emu cm−3, 461 Oe and 1070 emu cm−3, 412 Oe, respectively.
Group III Nitrides
Authors: Christen Jürgen , Gil Bernard
Published: February 2014

The nitride semiconductors have emerged as important and promising materials for a wide field of optoelectronic and electronic applications. LEDs based on GaN and its alloys with InN and GaN exhibit green, blue and UV high brightness emission levels which are ready to serve many indoor and outdoor applications. Combined with the available red LEDs or by using RGB phosphors they can be used for displays as well as for illumination purpose in office, at home, in automobiles, aircraft airport runways, ships etc. Blue laser diodes based on the same material systems are already available to be used for data storage on CD ROMs with densities in excess of 1 Gbite per cm2. This makes affordable high density digital information storage systems possible for a huge consumer market of movies in high picture quality on one CD ROM. Electronic devices based on nitrides and SiC are using the superior electrical properties for high power, high frequency and high temperature applications. However, this huge potential of promising material properties and fields of applications can only be used in a wide and economic manner, if several substantial deficiencies and drawback of the materials can be overcome. These relate mostly to severe structural imperfections of the crystals and epitaxial layers and especially the lack of substrates for GaN homoepitaxy. This volume gathered papers related to some of the scientific results presented during a symposium dedicated to III‐nitrides which was organized by Jürgen Christen, Russell Dean Dupuis, Bernard Gil, Matthew Phillips and Akihiko Yoshikawa under the umbrella of the European Material Society, during its 2013 Spring Meeting. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Influence of Deformation on Phase Transformation and Precipitation of Steels for Oil Country Tubular Goods
Authors: Timoshenkov Alexander , Warczok Piotr , Albu Mihaela , Klarner Jürgen , Kozeschnik Ernst , Gruber Gerald , Sommitsch Christof
Published: February 2014

This work presents different modeling approaches for the description of the microstructure evolution in a typical C–Mn micro‐alloyed steel for pipes and tubes in the oil field industry. A comparison between the continuous‐cooling‐transformation (CCT) diagram of the material with no deformation and the DCCT diagram after single‐ and multiple‐step deformation is presented. The experiments are performed on a high‐speed deformation dilatometer. The start of austenite decomposition is simulated with the software JMatPro, whereas the bainite and martensite start temperature are additionally evaluated with empirical formulae available in the literature. The precipitation state of the micro‐alloying elements is investigated by transmission and scanning electron microscopy and compared with calculated ones by using the software package MatCalc. Our simulation results are directly applicable to the optimization of microstructure and properties in the production of steels for oil country tubular goods.
Father absence and timing of menarche in adolescent girls from a UK cohort: The mediating role of maternal depression and major financial problems
Authors: Culpin Iryna , Heron Jon , Araya Ricardo , Melotti Roberto , Lewis Glyn , Joinson Carol
Published: February 2014

In a prospective birth cohort study of 5295 girls from the UK‐based Avon Longitudinal Study of Parents and Children (ALSPAC), we examined the association between biological father absence in childhood and age at menarche whilst adjusting for antenatal indicators of socioeconomic disadvantage and maternal characteristics. We also examined whether exposure to maternal depression and financial problems during middle childhood mediate the association between father absence and age at menarche. There was stronger evidence for an association between father absence during the first 5 years of life and early timing of menarche compared with father absence between 5 and 10 years. There was evidence that maternal depression and major financial problems explained some of the association between early childhood father absence and age at menarche. Although father absence cannot be a direct target of prevention, family‐based programs to address family processes influenced by maternal depression and socioeconomic disadvantage may be effective.
A prospective evaluation of the predictive value of faecal calprotectin in quiescent Crohn's disease
Authors: Naismith Graham D. , Smith Lyn A. , Barry Sarah J.E. , Munro Joanna I. , Laird Susan , Rankin Karen , Morris Allan J. , Winter Jack W. , Gaya Daniel R.
Published: February 2014

Background

Faecal calprotectin (FC) is a non-invasive marker of gastrointestinal inflammation.

Aim

To determine whether higher FC levels in individuals with quiescent Crohn's disease are associated with clinical relapse over the ensuing 12 months.

Methods

A single centre prospective study was undertaken in Crohn's disease patients in clinical remission. The receiver operating characteristic (ROC) curve for the primary endpoint of clinical relapse by 12 months, based on FC at baseline, was calculated. Kaplan–Meier curves of time to relapse were based on the resulting optimal FC cutoff for predicting relapse.

Results

Of 97 patients recruited, 92 were either followed up for 12 months without relapsing, or reached the primary endpoint within that period. Of these, 10 (11%) relapsed by 12 months. Median FC was lower for non-relapsers, 96 μg/g (IQR 39–237), than for relapsers, 414 μg/g (IQR 259–590), (p = 0.005). The area under the ROC curve to predict relapse using FC was 77.4%. An optimal cutoff FC value of 240 μg/g to predict relapse had sensitivity of 80.0% and specificity of 74.4%. Negative predictive value was 96.8% and positive predictive value was 27.6%, FC ≥ 240 μg/g was associated with likelihood of relapse by 12-months 12.18 (95%CI 2.55–58.2) times higher than lower values (p = 0.002).

Conclusions

In this prospective dataset, FC is a useful tool to help identify quiescent Crohn's disease patients at a low risk of relapse over the ensuing 12 months. FC of 240 μg/g was the optimal cutoff in this cohort.
Nano CoFe2O4supported antimony(iii) as an efficient and recyclable catalyst for one-pot three-component synthesis of multisubstituted pyrroles
Authors: Li Bao-Le , Hu Hai-Chuan , Mo Li-Ping , Zhang Zhan-Hui
Published: February 2014

A novel magnetic nano-CoFe2O4supported Sb ([CoFe2O4@SiO2-DABCO-Sb]) was successfully constructed and identified as an efficient catalyst for synthesis of multisubstituted pyrrolesviaone-pot three-component reaction of amines, nitroolefin and 1,3-dicarbonyl compounds.
Quantifying attitude to chemistry in students at the University of the South Pacific
Authors: Brown S. J. , Sharma B. N. , Wakeling L. , Naiker M. , Chandra S. , Gopalan R. D. , Bilimoria V. B.
Published: February 2014

The attitude towards the study of chemistry for new entrant chemistry students from a multi-national, regional, tertiary educational institution in the South Pacific was investigated using a purpose-designed diagnostic instrument. The Attitude toward the Study of Chemistry Inventory (ASCI) was used to quantify attitude in a cohort of first year undergraduate (n = 144) and foundation (n = 108) chemistry students. A similar, generally positive attitude to the study of chemistry was shown by both groups of students. Exploratory factor analysis using principle axis factoring and direct oblimin rotation was used to identify factors within the pooled data. Three factors accounted for more than 50% of the total variance, while Cronbach's alpha values for the factors 1, 2 and 3 were 0.92, 0.68 and 0.78, respectively. Factors 1 and 2 were consistent with known constructs of attitude, namely affective (factor 1) and cognitive (factor 2). However, the other factor (3) identified in this study was designated “Value”, which may reflect the students' choice of chemistry as a career path. ASCI may be a suitable tool for monitoring students' attitude throughout a degree and also to monitor the impact of novel approaches for teaching chemistry and engaging students.
Palladium catalyzed N–H bond insertion and intramolecular cyclization cascade: the divergent synthesis of heterocyclics
Authors: Ding Dong , Liu Gang , Xu Guangyang , Li Jian , Wang Guoping , Sun Jiangtao
Published: February 2014

A palladium-catalyzed one-pot procedure of N–H insertion and Heck cyclization/base promoted cyclization has been developed.
Kurahyne, an acetylene-containing lipopeptide from a marine cyanobacterial assemblage of Lyngbya sp.
Authors: Iwasaki Arihiro , Ohno Osamu , Sumimoto Shinpei , Suda Shoichiro , Suenaga Kiyotake
Published: February 2014

Kurahyne, a new acetylene-containing lipopeptide, was isolated from a marine cyanobacterial assemblage that mostly consisted of Lyngbya sp. Kurahyne inhibited the growth of human cancer cells and induced apoptosis in HeLa cells, and it seemed to localize in mitochondria.
Evaluation of single cell electrical parameters from bioimpedance of a cell suspension
Authors: Das Debanjan , Kamil Farhan Ahmad , Biswas Karabi , Das Soumen
Published: February 2014

The present study introduces a simple and detailed analysis technique to extract the electrical properties of a single cell from impedance spectroscopy data from a group of cells in suspension, leading to a more reliable and cost effective diagnosis process for disease detection.
Efficient Fenton-like La–Cu–O/SBA-15 catalyst for the degradation of organic dyes under ambient conditions
Authors: Xiao Ping , Li Hailong , Wang Tao , Xu Xuelian , Li Jinlin , Zhu Junjiang
Published: February 2014

Supported La–Cu–O/SBA-15 catalyst shows good adsorption capacity and efficient ability for RhB degradation, with the lowest turnover frequency of 0.11 h−1 within 30 min at a weight ratio of RhB to catalyst equal to 0.08. The excellent catalytic performance is due to a support effect and/or a synergistic effect between La–Cu–O and SBA-15.
Learning quantum chemistry via a visual-conceptual approach: students' bidirectional textual and visual understanding
Authors: Dangur Vered , Avargil Shirly , Peskin Uri , Dori Yehudit Judy
Published: February 2014

Most undergraduate chemistry courses and a few high school honors courses, which focus on physical chemistry and quantum mechanics, are highly mathematically-oriented. At the Technion, Israel Institute of Technology, we developed a new module for high school students, titledChemistry – From “the Hole” to “the Whole”: From the Nanoscale to Microelectronics. The module is based on a qualitative approach to teaching quantum chemistry, emphasizing interdisciplinary real-life applications and integration of visualization. While aimed at honors high school chemistry students, the module was also partially implemented and assessed in an undergraduate chemistry course. The research objective was to investigate the effect of the module on the visual and textual understanding of quantum mechanical concepts among 122 honors and 65 volunteer undergraduate chemistry students. The research tools included students' pre- and post-questionnaires. High school honors and undergraduate students, who were exposed to the module, significantly improved their textual and visual understanding of quantum mechanical concepts and their ability to move across illustrations and explanations. Honors and undergraduate students minimized the gap that had existed between them in terms of integrating micro and quantum levels into their post-questionnaire answers. Our findings augment the current set of the four chemistry understanding levels – macro, micro, symbol and process – by adding the quantum mechanical level as a fifth level of chemistry understanding. The study contributes to teaching physical chemistry by providing a tool for learning, assessment, and research of chemistry understandingviaboth visual and textual modes.
The kinetics of carbonyl radical ring closures
Authors: Hancock Amber N. , Schiesser Carl H.
Published: February 2014

Kinetic data for intramolecular homolytic substitution reactions of a series of acyl and oxyacyl radicals are reported.
Implantable thin NIRS probe design and sensitivity distribution analysis
Authors: Niwayama M. , Yamakawa T.
Published: February 2014

An ultra‐thin optical probe based on spatially resolved near infrared spectroscopy (NIRS) is developed and the measurement sensitivity of cerebral tissue using minimally invasive implantation of the optical probe is examined. The optical sensor head consists of bare chips of light‐emitting diodes and photodiodes, which were mounted on a polyimide‐based flexible substrate. The minimum and maximum thicknesses of the sensor head were 80 and 300 μm, respectively. The light propagation of the NIRS measurement with implanted optical sensor was analysed using the Monte Carlo simulation based on transport theory. The optical path lengths for brain and scalp were 2.3 times and 1/20th, respectively, as compared with generally available NIRS probes, which were attached on the body surface. The influences of the optical block on measurement sensitivity were revealed, and the volume of the sensor head was minimised. Findings also show that the sensitivity distribution is adjustable by changing the medium between sources and detectors.
Outage probability guaranteed relay selection in cooperative communications
Authors: Li Hua , Hua Cunqing , Chen Cailian , Guan Xinping
Published: February 2014

This study is focused on the multiple relay selection problem in cooperative communications. The objective is to select the minimum set of relays to minimise the spectrum cost while preserving the signal‐to‐noise ratio (SNR) requirement at the destination. A probabilistic constraint is adopted to characterise the SNR outage requirement, which turns out to be intractable in general. As a solution, a tractable bound is derived for the outage probability constraint, with which the multiple relay selection problem can be formulated as a mixed integer optimisation problem with the on‐and‐off power mode at the relays, which is NP‐hard. By utilising the intersections of the proposed bound for different relays, the authors propose an outage probability guaranteed relay selection algorithm which can find the optimal solution with significantly reduced complexity. A heuristic algorithm is also proposed for comparison. Extensive simulation results are provided to show the effectiveness of the proposed schemes.
Online evaluation of an integrated control strategy at on‐ramp bottleneck for urban expressways in Shanghai
Authors: Sun Jian , Zhang Shuo , Tang Keshuang
Published: February 2014

Variable speed limits (VSLs) and ramp metering (RM) have been proved to be effective alternatives to alleviate the traffic congestions occurred on freeways in many studies. However, no research has so far evaluated the efficiency of the above strategies on urban expressways in Chinese cities, where the early onset breakdown often occurs at the bottlenecks because of different driver behaviour from those reported in overseas. Hence, this study was intended to propose an integrated control strategy of VSL and RM to dynamically postpone the early onset breakdown of on‐ramp bottlenecks based on its occurring probability. The proposed strategy is capable of simultaneously optimising mainline speed and RM rate based on the modified METANET model and the ALINEA model. Meanwhile, an online simulation platform that integrates VISSIM, Visual Basic and MATLAB programs was developed for the purpose of a close‐to‐reality evaluation. Empirical results on urban expressways in Shanghai show that the average travel time and the speed difference were significantly reduced by 8.6 and 41.4%, respectively; the pre‐queue flow at the bottleneck was increased by 14.7%, which indicates that the early onset breakdown could be efficiently postponed or prevented by the use of the proposed control strategy.
Optimal design of frequency selective surfaces with fractal motifs
Authors: Silva Marcelo Ribeiro da , Nóbrega Clarissa de Lucena , Silva Paulo Henrique da F. , D'Assunção Adaildo Gomes
Published: February 2014

An alternative electromagnetic (EM) optimisation technique for the optimal design of frequency selective surfaces (FSSs) with fractal motifs is described. Based on computational intelligence tools, the proposed technique overcomes the high computational cost associated with FSS parametric full‐wave analysis. In an application example, a fast and accurate multilayer perceptrons model of a FSS band‐stop spatial filter with a Vicsek fractal motif is developed. This neural network model is used for repetitive cost function computations in population‐based search algorithm simulations. A bees algorithm, continuous genetic algorithm and particle swarm optimisation are used for FSS optimisation with specific resonant frequency and bandwidth. The performance of these algorithms is compared in terms of numerical convergence. Consistent results are presented for a second‐pass of designed FSS prototype with Vicsek fractal elements.
Three‐phase rectifiers with suboptimal current injection and improved efficiency
Authors: Darijević Milan , Janković Marija , Pejović Predrag , Kolar Johann Walter , Nishida Yasuyuki
Published: February 2014

Three‐phase diode bridge rectifiers that apply suboptimal current injection and active resistance emulation are analysed. Two types of current injection devices (CIDs) are in the focus, and rectifiers with each CID are analysed for two cases of active resistance emulation: one that applies low‐frequency filtering of the emulator output, and another that does not. Models that cover both continuous and discontinuous conduction mode are developed. To minimise the input current total harmonic distortion (THD), optimisation is performed, showing that in each case the THD is about the same when the emulated resistance takes its optimal value. The results are experimentally verified on a 1.5 kW rectifier.
Two‐stage LED street lighting system based on a novel single‐stage AC/DC converter
Authors: Wang Yijie , Guan Yueshi , Liang Xinyu , Wang Wei , Xu Dianguo
Published: February 2014

A two‐stage street lighting system is presented, where the front stage is a single‐stage AC/DC converter based on the sepic circuit and flyback converter. Since the sepic circuit and flyback converter share a switching device, the costs of the system can be reduced, and the efficiency and reliability can be improved. At the same time, the switch operates in quasi‐resonant state, which reduces the switching losses and enhances the efficiency. The second stage is a light‐emitting diode constant current circuit, which achieves the constant current control by adopting boost circuit in peak current control mode. A 100 W prototype is presented, which confirms the correctness of the analysis, the front stage work in the soft‐switching condition and the efficiency is up to 83% when the system is in full load condition.
Magnetism of Zn-doped SnO2: Role of surfaces
Authors: Pushpa Raghani , Ramanujam Balaji
Published: February 2014

Surface effects on the magnetization of Zn-doped SnO2 are investigated using first principles method. Magnetic behavior of Zn-doped bulk and highest and lowest energy surfaces—(001) and (110), respectively, are investigated in presence and absence of other intrinsic defects. The Zn-doped (110) and (001) surfaces of SnO2 show appreciable increase in the magnetic moment (MM) compared to Zn-doped bulk SnO2. Formation energies of Zn defects on both the surfaces are found to be lower than those in bulk SnO2. Zn doping favors the formation of oxygen vacancies. The density of states analysis on the Zn-doped (110) surface reveals that the spin polarization of the host band occurs primarily from p-orbitals of bridging oxygen atoms and the Zn atom itself contributes minimally. The present work provides a key understanding on the role played by the surfaces in inducing the magnetism of doped nanoparticles and thin films.
High power and high temperature continuous-wave operation of distributed Bragg reflector quantum cascade lasers
Authors: Xie Feng , Caneau Catherine G. , LeBlanc Herve P. , Ho Ming-tsung , Wang Jie , Chaparala Satish , Hughes Lawrence C. , Zah Chung-en
Published: February 2014

High temperature continuous-wave (CW) operation of a distributed Bragg reflector (DBR) quantum cascade laser is demonstrated up to a heat sink temperature of 80 °C. A CW output power of 2 W and a single mode operation with side mode suppression ratio of 30 dB around wavelength of 4.48 μm were achieved at 20 °C. The maximum pulsed and CW wall-plug-efficiencies reached 14.7% and 10.3% at 20 °C, respectively. A large tuning range of 5 cm−1 between mode hopping was observed and attributed to the thermal cross-talk from the gain section to the DBR section.
Thoron detection with an active Radon exposure meter—First results
Authors: Irlinger J. , Wielunski M. , Rühm W.
Published: February 2014

For state-of-the-art discrimination of Radon and Thoron several measurement techniques can be used, such as active sampling, electrostatic collection, delayed coincidence method, and alpha-particle-spectroscopy. However, most of the devices available are bulky and show high power consumption, rendering them unfeasible for personal exposition monitoring. Based on a Radon exposure meter previously realized at the Helmholtz Center Munich (HMGU), a new electronic prototype for Radon/Thoron monitoring is currently being developed, which features small size and weight. Operating with pin-diode detectors, the low-power passive-sampling device can be used for continuous concentration measurements, employing alpha-particle-spectroscopy and coincidence event registration to distinguish decays originating either from Radon or Thoron isotopes and their decay products. In open geometry, preliminary calibration measurements suggest that one count per hour is produced by a 11 Bq m−3 Radon atmosphere or by a 15 Bq m−3 Thoron atmosphere. Future efforts will concentrate on measurements in mixed Radon/Thoron atmospheres.
Optimization of the Jastrow factor using the random-phase approximation and a similarity-transformed Hamiltonian: Application to band-structure calculation for some semiconductors and insulators
Authors: Ochi Masayuki , Sodeyama Keitaro , Tsuneyuki Shinji
Published: February 2014

Based on the random-phase approximation and the transcorrelated (TC) method, we optimize the Jastrow factor together with one-electron orbitals in the Slater determinant in the correlated wave function with a new scheme for periodic systems. The TC method is one of the promising wave function theories for first-principles electronic structure calculation, where the many-body wave function is approximated as a product of a Slater determinant and a Jastrow factor, and the Hamiltonian is similarity-transformed by the Jastrow factor. Using this similarity-transformed Hamiltonian, we can optimize the one-electron orbitals without evaluating 3N-dimensional integrations for the N-electron system. In contrast, optimization of the Jastrow factor within the framework of the TC method is computationally much more expensive and has not been performed for solid-state calculations before. In this study, we also benefit from the similarity-transformation in optimizing the Jastrow factor. Our optimization scheme is tested in applications to some solids from narrow-gap semiconductors to wide-gap insulators, and it is verified that the band gap of a wide-gap insulator and the lattice constants of some solids are improved by this optimization with reasonable computational cost.