bluuebunny/crossref_metadata_2025 huggingface dataset:
Echo state networks as an alternative to traditional artificial neural networks in rainfall–runoff modelling
Authors: de Vos N. J.
Published: January 2013

Abstract. Despite theoretical benefits of recurrent artificial neural networks over their feedforward counterparts, it is still unclear whether the former offer practical advantages as rainfall–runoff models. The main drawback of recurrent networks is the increased complexity of the training procedure due to their architecture. This work uses the recently introduced and conceptually simple echo state networks for streamflow forecasts on twelve river basins in the Eastern United States, and compares them to a variety of traditional feedforward and recurrent approaches. Two modifications on the echo state network models are made that increase the hydrologically relevant information content of their internal state. The results show that the echo state networks outperform feedforward networks and are competitive with state-of-the-art recurrent networks, across a range of performance measures. This, along with their simplicity and ease of training, suggests that they can be considered promising alternatives to traditional artificial neural networks in rainfall–runoff modelling.
Radar stratigraphy connecting Lake Vostok and Dome C, East Antarctica, constrains the EPICA/DMC ice core time scale
Authors: Cavitte M. G. P. , Blankenship D. D. , Young D. A. , Siegert M. J. , Le Meur E.
Published: January 2013

Abstract. New airborne radar sounding surveys at 60 MHz are used to trace internal layering between the Vostok and EPICA Dome C ice core sites. Eleven layers, spanning two glacial cycles from the last glacial maximum back to the MIS 7c interglacial, are used to correlate the two ice core chronologies. Independent of palaeoclimate signals, radar sounding enables correlation of the timescales, with a radar depth uncertainty equivalent to hundreds of years, which is small relative to the ice core dating uncertainties of thousands of years. Along the radar transects, horizons belonging to the last glacial cycle are impacted by aeolian stratigraphic reworking that increases radar technique uncertainty for this interval. However, older layers are used to propagate the higher resolution Vostok ages to the lower resolution Dome C ice core using the Suwa and Bender (2008) Vostok O2 / N2 chronology to give a recalibration of the Parrenin et al. (2007) EPICA EDC3 timescale between 1597 m and 2216 m depth (126 ka to 247 ka age interval).
A Method for Robust Strategic Railway Dispatch Applied to a Single Track Line
Authors: Harrod Steven
Published: January 2013

A method is presented for global optimization of a dispatch plan assuming perfect information over a given time horizon. An example problem is solved for the North American case of a single dominant high-speed train sharing a network with a majority flow of slower trains. Initial dispatch priority and speed changes to selected trains consume network capacity, but incremental speed increases of these trains, combined with appropriate dispatch strategies, are beneficial to the network as a whole. Further, specific siding enhancements demonstrate measureable improvements in network flow.
Toward Sustainable Trucking:
Authors: Larson, Paul D. , Elias, Arne , Viafara Jairo
Published: January 2013

A trucking company president recently exclaimed: “Life is not trucking, but trucking is life.” Indeed, the goods that support North American lifestyles today are mostly delivered by trucks. Trucking also employs large numbers of people, burns billions of gallons of fuel, and produces tremendous tonnage of harmful emissions. This article combines the literature with lessons from green transportation leaders to identify four themes regarding movement toward sustainable trucking: (1) there are many ways to reduce emissions and fuel consumption; (2) many of these methods require substantial capital investment; (3) collaboration among the relevant stakeholders is needed to move forward; and (4) ultimately people—such as consumers, truck drivers, owner-operators, and taxpayers—will determine the future of trucking.
The Predicament of Domestic Airline Service after the Introduction of Taiwan High-Speed Rail
Authors: Jeng Chi-Ruey , Su Chao-Hsu
Published: January 2013

The launch of the Taiwan High-speed Rail (HSR) service in 2007 has significantly changed intercity travel in the Taiwan western corridor. The HSR links Taipei with Kaohsiung (Zuoying), a total distance of 345 kilometers (km), via a ninety-minute journey. Notably, this new service has considerably reduced air transportation volumes, bringing about a decline of approximately 70 percent. This study uses statistical data covering the period following the establishment of the high-speed rail to examine its impact on the domestic airline industry. Over relatively short distances, such as 350 km, high-speed rail has various advantages over air travel, including higher frequency and more reliable departures, a central location of departure, and reduced time-consuming security checks, among others. Accordingly, airlines must revise their competitive strategies. This study makes several suggestions, which may be useful for airlines in Taiwan and elsewhere planning to introduce high-speed rail. For example, airlines should consider adopting a low-cost carrier business model as well as focusing on flights to regions not served by high-speed rail. For example, airlines could operate leisure routes linking the populated western seaboard of Taiwan with the east coast and the offshore islands. This approach would facilitate integration between high-speed rail and the airlines. Airlines can incorporate high-speed rail services into their networks as hubs to complement and substitute for short-distance aircraft services.
‘Cryptic’ exons reveal some of their secrets
Authors: Calarco John A
Published: January 2013

By regulating the inclusion of ‘cryptic’ exons in messenger RNA in nerve cells, NOVA proteins are able to influence the abundance of the corresponding proteins.
Contemporary Charms and Charming in Adjara, Georgia
Authors: Roper Jonathan
Published: January 2013

This paper documents some charms recorded by the author in Adjara, Georgia, in 2006 (mostly for childrenâ€™s ailments), and attempts to compare them with previously-recorded charms where appropriate. It also comments upon details of the charmers involved and their charming, as well as (briefly) on the method of filming imitations of charming in cases where real charming cannot be fi lmed.
Verbal Charms from a Seventeenth-Century Manuscript
Authors: Toporkov Andrei
Published: January 2013

The article publishes nine Russian magical texts translated into English. All of them are taken from the Olonets Codex, a collection of charms dating back to approximately the second quarter of the 17th century. The collection of charms found in the Olonets Codex is unparalleled both in its scope and in its thematic diversity – not only for the seventeenth century, but perhaps within the whole corpus of Russian charm manuscripts.
Ultra‐Smooth and Ultra‐Strong Ion‐Exchanged Glass as Substrates for Organic Electronics
Authors: Käfer Daniel , He Mingqian , Li Jianfeng , Pambianchi Michael S. , Feng Jiangwei , Mauro John C. , Bao Zhenan
Published: January 2013

The introduction of new substrate materials into the world of electronics has previously opened up new possibilities for novel applications and device designs. Here, the use of ion‐exchanged sodium aluminosilicate (NAS) glass is presented as a new type of substrate that is not only highly damage resistant, but also allows the fabrication of high performance organic electronic devices. The smoothness of the NAS glass surface enables favorable growth of the semiconductor layer, enabling high charge carrier mobilities for typical organic semiconductors, such as pentacene or C60, and a polymer semiconductor. No degradation of the device performance is observed as a result of ion migration into the active device region, and no compromise in substrate strength due to the processing conditions is made. This work suggests the possibility of new, highly durable electronic devices on glass in large area format.
Fluorene‐Based Asymmetric Bipolar Universal Hosts for White Organic Light Emitting Devices
Authors: Mondal Ejabul , Hung Wen‐Yi , Dai Hung‐Chi , Wong Ken‐Tsung
Published: January 2013

Two new bipolar host molecules composed of hole‐transporting carbazole and electron‐transporting cyano (CzFCN) or oxadiazole (CzFOxa)‐substituted fluorenes are synthesized and characterized. The non‐conjugated connections, via an sp3‐hybridized carbon, effectively block the electronic interactions between electron‐donating and ‐accepting moieties, giving CzFCN and CzFOxa bipolar charge transport features with balanced mobilities (10−5 to 10−6 cm2 V−1 s−1). The meta–meta configuration of the fluorene‐based acceptors allows the bipolar hosts to retain relatively high triplet energies [ET = 2.70 eV (CzFOxa) and 2. 86 eV (CzFCN)], which are sufficiently high for hosting blue phosphor. Using a common device structure – ITO/PEDOT:PSS/DTAF/TCTA/host:10% dopants (from blue to red)/DPPS/LiF/Al – highly efficient electrophosphorescent devices are successfully achieved. CzFCN‐based devices demonstrate better performance characteristics, with maximum ηext of 15.1%, 17.9%, 17.4%, 18%, and 20% for blue (FIrpic), green [(PPy)2Ir(acac)], yellowish‐green [m‐(Tpm)2Ir(acac)], yellow [(Bt)2Ir(acac)], and red [Os(bpftz)2(PPhMe2)2, OS1], respectively. In addition, combining yellowish‐green m‐(Tpm)2Ir(acac) with a blue emitter (FIrpic) and a red emitter (OS1) within a single emitting layer hosted by bipolar CzFCN, three‐color electrophosphorescent WOLEDs with high efficiencies (17.3%, 33.4 cd A−1, 30 lm W −1), high color stability, and high color‐rendering index (CRI) of 89.7 can also be realized.
Exploring the relationship between dental wear and status in late medieval subadults from England
Authors: Dawson Heidi , Brown Kate Robson
Published: January 2013

Dental wear patterns were recorded on 458 deciduous molar teeth, of 142 subadults from late medieval (AD 1086–1539) England, to explore the relationship between dental wear and burial status of children. A new ordinal method for scoring dental wear stages on the deciduous molar teeth was devised. It was postulated that if a discernible relationship between dental wear stage and burial location could be seen then this could reflect a difference in diet between those receiving higher or lower status burial. The dental wear stages recorded were statistically similar for the dentitions of subadults from different cemeteries, as well as from different burial locations, indicating a comparable diet for the children studied. Am J Phys Anthropol, 2013. © 2013 Wiley Periodicals, Inc.
Combined multispectroscopic and molecular docking investigation on the interaction between strictosamide and human serum albumin
Authors: Pu Hanlin , Jiang Hua , Chen Rongrong
Published: January 2013

The interaction between strictosamide (STM) and human serum albumin (HSA) was investigated by fluorescence spectroscopy, synchronous fluorescence spectroscopy, three‐dimensional fluorescence spectroscopy, ultraviolet‐visible absorption spectroscopy, circular dichroism spectroscopy and molecular modeling under physiological pH 7.4. STM effectively quenched the intrinsic fluorescence of HSA via static quenching. The binding site number n and apparent binding constant Ka were determined at different temperatures by fluorescence quenching. The thermodynamic parameters, enthalpy change (ΔH) and entropy change (ΔS) for the reaction were calculated as −3.01 kJ/mol and 77.75 J/mol per K, respectively, which suggested that the hydrophobic force played major roles in stabilizing the HSA–STM complex. The distance r between donor and acceptor was obtained to be 4.10 nm according to Förster's theory. After the addition of STM, the synchronous fluorescence and three‐dimensional fluorescence spectral results showed that the hydrophobicity of amino acid residues increased and the circular dichroism spectral results showed that the α‐helix content of HSA decreased (from 61.48% to 57.73%). These revealed that the microenvironment and conformation of HSA were changed in the binding reaction. Furthermore, the study of molecular modeling indicated that STM could bind to site I of HSA and the hydrophobic interaction was the major acting force, which was in agreement with the binding mode study. Copyright © 2013 John Wiley & Sons, Ltd.
Molecular mechanisms of hypolipidemic effects of curcumin
Authors: Zingg Jean‐Marc , Hasan Syeda T. , Meydani Mohsen
Published: January 2013

Recent evidence suggests potential benefits from phytochemicals and micronutrients in reducing the elevated oxidative and lipid‐mediated stress associated with inflammation, obesity, and atherosclerosis. These compounds may either directly scavenge reactive oxygen or nitrogen species or they may modulate the activity of signal transduction enzymes leading to changes in the expression of antioxidant genes. Alternatively, they may reduce plasma lipid levels by modulating lipid metabolic genes in tissues and thus reduce indirectly lipid‐mediated oxidative and endoplasmic reticulum stress through their hypolipidemic effect. Here we review the proposed molecular mechanisms by which curcumin, a polyphenol present in the rhizomes of turmeric (Curcuma longa) spice, influences oxidative and lipid‐mediated stress in the vascular system. At the molecular level, mounting experimental evidence suggests that curcumin may act chemically as scavenger of free radicals and/or influences signal transduction (e.g., Akt, AMPK) and modulates the activity of specific transcription factors (e.g., FOXO1/3a, NRF2, SREBP1/2, CREB, CREBH, PPARγ, and LXRα) that regulate the expression of genes involved in free radicals scavenging (e.g., catalase, MnSOD, and heme oxygenase‐1) and lipid homeostasis (e.g., aP2/FABP4, CD36, HMG‐CoA reductase, and carnitine palmitoyltransferase‐I (CPT‐1)). At the cellular level, curcumin may induce a mild oxidative and lipid‐metabolic stress leading to an adaptive cellular stress response by hormetic stimulation of these cellular antioxidant defense systems and lipid metabolic enzymes. The resulting lower oxidative and lipid‐mediated stress may not only explain the beneficial effects of curcumin on inflammation, cardiovascular, and neurodegenerative disease, but may also contribute to the increase in maximum life‐span observed in animal models. © 2013 BioFactors, 39(1):101–121, 2013
Curcumin and obesity
Authors: Bradford Peter G.
Published: January 2013

Turmeric has been long recognized for its anti‐inflammatory and health‐promoting properties. Curcumin is one of the principal anti‐inflammatory and healthful components of turmeric comprising 2–8% of most turmeric preparations. Experimental evidence supports the activity of curcumin in promoting weight loss and reducing the incidence of obesity‐related diseases. With the discovery that obesity is characterized by chronic low‐grade metabolic inflammation, phytochemicals like curcumin which have anti‐inflammatory activity are being intensely investigated. Recent scientific research reveals that curcumin directly interacts with white adipose tissue to suppress chronic inflammation. In adipose tissue, curcumin inhibits macrophage infiltration and nuclear factor κB (NF‐κB) activation induced by inflammatory agents. Curcumin reduces the expression of the potent proinflammatory adipokines tumor necrosis factor‐α (TNFα), monocyte chemoattractant protein‐1 (MCP‐1), and plasminogen activator inhibitor type‐1 (PAI‐1), and it induces the expression of adiponectin, the principal anti‐inflammatory agent secreted by adipocytes. Curcumin also has effects to inhibit adipocyte differentiation and to promote antioxidant activities. Through these diverse mechanisms curcumin reduces obesity and curtails the adverse health effects of obesity. © 2013 BioFactors, 39(1):78–87, 2013
Curcumin, a component of turmeric: From farm to pharmacy
Authors: Gupta Subash C. , Kismali Gorkem , Aggarwal Bharat B.
Published: January 2013

Curcumin, an active polyphenol of the golden spice turmeric, is a highly pleiotropic molecule with the potential to modulate the biological activity of a number of signaling molecules. Traditionally, this polyphenol has been used in Asian countries to treat such human ailments as acne, psoriasis, dermatitis, and rash. Recent studies have indicated that curcumin can target newly identified signaling pathways including those associated with microRNA, cancer stem cells, and autophagy. Extensive research from preclinical and clinical studies has delineated the molecular basis for the pharmaceutical uses of this polyphenol against cancer, pulmonary diseases, neurological diseases, liver diseases, metabolic diseases, autoimmune diseases, cardiovascular diseases, and numerous other chronic diseases. Multiple studies have indicated the safety and efficacy of curcumin in numerous animals including rodents, monkeys, horses, rabbits, and cats and have provided a solid basis for evaluating its safety and efficacy in humans. To date, more than 65 human clinical trials of curcumin, which included more than 1000 patients, have been completed, and as many as 35 clinical trials are underway. Curcumin is now used as a supplement in several countries including the United States, India, Japan, Korea, Thailand, China, Turkey, South Africa, Nepal, and Pakistan. In this review, we provide evidence for the pharmaceutical uses of curcumin for various diseases. © 2013 BioFactors, 39(1):2–13, 2013
Texture formation in DNA films with alkali metal chlorides
Authors: Perepelytsya Sergiy M. , Glibitskiy Gennadiy M. , Volkov Sergey N.
Published: January 2013

The formation of textures in DNA films with LiCl, NaCl, KCl, RbCl, and CsCl salts has been studied. The films are prepared by evaporation of water solution with highly polymerized calf thymus DNA and excess salt of specific type. For DNA solution with 10 mM concentration of NaCl, KCl, and RbCl the films with dendritic textures have been obtained, whereas in case of CsCl the textures in the films appear only at 30 mM concentration of excess salt in the initial solution. In the solution with LiCl, the textures in DNA films have not been observed within the whole range of concentration of excess salt under consideration. The analysis of parameters of DNA films with different salts has showed that evaporation of solution leads to crystallization of salt ions on DNA macromolecule and formation of DNA‐salt complexes. Electrostatic energy of the system of crystalline ordered ions and charges of DNA chains has been estimated to study the stability of DNA‐salt complexes. The results obtained for different salts have been showed that the presence of DNA macromolecule enhances crystallization as compared with solution without DNA. The property of excess salt to form the crystalline structures has been found to decrease in the following order: KCl > NaCl > RbCl > CsCl > LiCl. The results of estimation are in good agreement with the experimentally observed dependence of texture formation on excess salt type. © 2013 Wiley Periodicals, Inc. Biopolymers 99: 508–516, 2013.
Evaluating Risk Assessments Using Receiver Operating Characteristic Analysis: Rationale, Advantages, Insights, and Limitations
Authors: Mossman Douglas
Published: January 2013

The last two decades have witnessed major changes in the way that mental health professionals assess, describe, and think about persons' risk for future violence. Psychiatrists and psychologists have gone from believing that they could not predict violence to feeling certain they can assess violence risk with well‐above‐chance accuracy. Receiver operating characteristic (ROC) analysis has played a central role in changing this view. This article reviews the key concepts underlying ROC methods, the meaning of the area under the ROC curve (AUC), the relationship between AUC and effect size d, and what these two indices tell us about evaluations of violence risk.

The area under the ROC curve and d provide succinct but incomplete descriptions of discrimination capacity. These indices do not provide details about sensitivity–specificity trade‐offs; they do not tell us how to balance false‐positive and false‐negative errors; and they do not determine whether a diagnostic system is accurate enough to make practically useful distinctions between violent and non‐violent subject groups. Justifying choices or clinical practices requires a contextual investigation of outcomes, a process that takes us beyond simply knowing global indices of accuracy. Copyright © 2013 John Wiley & Sons, Ltd.
A benign psoas teratoma of the non‐pelvic retroperitoneal space: A case report
Authors: Durand P. , Malone A. , Courtney D.
Published: January 2013

This case report is of a benign retroperitoneal teratoma which was adherent to the psoas muscle of a 53‐year‐old female cadaver with a history of metastatic bladder cancer as a cause of death. Teratomas possess derivatives of all three germ cell layers and are usually seen either in children or in the lower pelvic region of adults. The finding of this mass deep to the inferior pole of the kidney is quite unusual. Few studies mention a possible association between metastatic cancer and teratoma growth in extrapelvic locations. The following report is a detailed account of this unusual finding and a summary of the literature on growths of this kind. Clin. Anat. 26:638–640, 2013. © 2013 Wiley Periodicals, Inc.
Simulations in Evolution. III. Randomness as a Generator of Opportunities
Authors: Testa Bernard , Bojarski Andrzej J. , Mordalski Stefan
Published: January 2013

In Neo‐Darwinism, variation and natural selection are the two evolutionary mechanisms which propel biological evolution. Our previous reports presented a histogram model to simulate the evolution of populations of individuals classified into bins according to an unspecified, quantifiable phenotypic character, and whose number in each bin changed generation after generation under the influence of fitness, while the total population was maintained constant. The histogram model also allowed Shannon entropy (SE) to be monitored continuously as the information content of the total population decreased or increased. Here, a simple Perl (Practical Extraction and Reporting Language) application was developed to carry out these computations, with the critical feature of an added random factor in the percent of individuals whose offspring moved to a vicinal bin. The results of the simulations demonstrate that the random factor mimicking variation increased considerably the range of values covered by Shannon entropy, especially when the percentage of changed offspring was high. This increase in information content is interpreted as facilitated adaptability of the population.
Designing Functionalized Mesoporous Materials for Enzyme Immobilization: Locating Enzymes by Using Advanced TEM Techniques
Authors: Mayoral Alvaro , Arenal Raul , Gascón Victoria , Márquez‐Álvarez Carlos , Blanco Rosa M. , Díaz Isabel
Published: January 2013

One of the widely accepted uses of ordered mesoporous materials is as supports of enzymes for biotechnological applications. Enzymes have been trapped, anchored, or encapsulated in organized porous networks of the mesoporous range (2–50 nm). The reactivity of the surface of mesoporous materials has enabled the synthesis of various supports by using different forces for the immobilization process. To design catalysts for specific applications, we have developed functionalized mesoporous materials with tunable hydrophobicity for the immobilization of lipase. More recently, we moved to the immobilization of laccase with amino‐functionalized ordered mesoporous materials. In this case, it is required to use pore expanders along with optimized functionalization techniques. Advanced TEM techniques have been applied to locate not only the functional groups but also the macromolecules inside the silica matrix.
Medium‐Temperature Shift Catalysts for Hydrogen Purification in a Single‐Stage Reactor
Authors: Alijani A. , Irankhah A.
Published: January 2013

Interest regarding the WGS process has grown significantly, because of the recent progression in fuel cells as a clean technology for power generation. Due to the large volume and cost of WGS conventional two‐stage reactors, and also problems related to pyrophoricity and lengthy reduction of customary catalysts, the current challenge is to develop more active and stable catalysts that convert CO in a single‐stage medium temperature shift (MTS, 280–360 °C) reactor, which is applicable in small‐scale fuel cells. Advanced and newly developed catalytic systems for hydrogen purification via MTS reactions are reviewed and discussed in this study. Pt‐based catalysts on reducible oxide supports, e.g., CeO2 and TiO2, have mainly been used for this reaction. It is known that ceria is the most applicable active and stable support and highly promising for MTS reactions, considering its high oxygen storage capacity and mobility of surface oxygen/hydroxyl groups. New studies investigate modified ceria, e.g., CeZr, to improve its catalytic properties.
Synthesis and Morphogenesis of Organic and Inorganic Polymers by Means of Biominerals and Biomimetic Materials
Authors: Kijima Misako , Oaki Yuya , Munekawa Yurika , Imai Hiroaki
Published: January 2013

We have studied the simultaneous synthesis and morphogenesis of polymer materials with hierarchical structures from nanoscopic to macroscopic scales. The morphologies of the original materials can be replicated to the polymer materials. In general, it is not easy to achieve the simultaneous synthesis and morphogenesis of polymer material even using host materials. In the present work, four biominerals and three biomimetic mesocrystal structures are used as the host materials or templates and polypyrrole, poly(3‐hexylthiopehene), and silica were used as the precursors for the simultaneous syntheses and morphogenesis of polymer materials. The host materials with the hierarchical structure possess the nanospace for the incorporation of the monomers. After the incorporation of the monomers, the polymerization reaction proceeds in the nanospace with addition of the initiator agents. Then, the dissolution of the host materials leads to the formation and morphogenesis of the polymer materials. The scheme of the replication can be classified into the three types based on the structures of the host materials (types I–III). The type I template facilitates the hierarchical replication of the whole host material, type II mediates the hierarchical surface replication, and type III induces the formation of the two‐dimensional nanosheets. Based on these results, the approach for the coupled synthesis and morphogenesis can be applied to a variety of combinations of the templates and polymer materials.
ChemInform Abstract: Prediction of Structural, Lattice Dynamical, and Mechanical Properties of CaB2
Authors: Vajeeston P. , Ravindran P. , Fjellvaag H.
Published: January 2013

DFT calculations
ChemInform Abstract: A Facile Room‐Temperature Route to Flower‐Like CuO Microspheres with Greatly Enhanced Lithium Storage Capability.
Authors: Yuan Zhengqiu , Wang Yan , Qian Yitai
Published: January 2013

CuO microspheres are prepared by dropwise addition of an aqueous (NH4)2S2O8 solution to an aqueous mixture of copper powder and NaOH (20 °C, 20 h).
ChemInform Abstract: General Synthetic Strategy for High‐Yield and Uniform Rare‐Earth Oxysulfate (RE2O2SO4, RE: La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Y, Ho, and Yb) Hollow Spheres.
Authors: Liu Xiaohe , Zhang Dan , Jiang Jinghui , Zhang Ning , Ma Renzhi , Zeng Haibo , Jia Baoping , Zhang Shoubao , Qiu Guanzhou
Published: January 2013

The title hollow spheres are prepared from aqueous solutions of rare‐earth nitrates, L‐cysteine, and polyvinylpyrrolidone (autoclave, 140 °C, 24 h; calcination at 600 °C for 2 h; 85% yield for La2O2SO4).
ChemInform Abstract: Structure and Magnetism of Sr3Co2O4Cl2 — An Electronically Driven Lattice Distortion in an Oxychloride Containing Square Planar CoII Centers.
Authors: Romero Fabio Denis , Coyle Lucy , Hayward Michael A.
Published: January 2013

The title compound is prepared by topochemical reduction of Sr3Co2O5Cl2 with NaH as solid state reducing agent (grinding, 200 °C, 2 x 2 d).
ChemInform Abstract: Direct Transformation of Simple Enals to 3,4‐Disubstituted Benzaldehydes under Mild Reaction Conditions via an Organocatalytic Regio‐ and Chemoselective Dimerization Cascade.
Authors: Song Xixi , Zhang Xinshuai , Zhang Shilei , Li Hao , Wang Wei
Published: January 2013

The title reaction proceeds via two different routes: the self‐dimerization of two equivalents of the same aliphatic enal, and the hetero‐dimerization of two distinct enals in a regio‐ and chemoselective manner using racemic diphenyl prolinol Tms ether as catalyst.
ChemInform Abstract: RuHCl(CO)(PPh3)3‐Catalyzed α‐Alkylation of Ketones with Primary Alcohols.
Authors: Kuwahara Takashi , Fukuyama Takahide , Ryu Ilhyong
Published: January 2013

The alkylation with aliphatic alcohols is feasible by addition of phenanthroline [cf.(V) and (VII)].
ChemInform Abstract: One‐Pot Three‐Step Thioconjugate Addition‐Oxidation‐Diels—Alder Reactions of Ethyl Propiolate.
Authors: Downey C. Wade , Craciun Smaranda , Vivelo Christina A. , Neferu Ana M. , Mueller Carly J. , Corsi Stephanie
Published: January 2013

In connection with the preceding paper dealing with the preparation of (Z)‐β‐sulfonyl enoates, the process is extended to the synthesis of bicyclic esters (IV) and (VI) via 1,3‐dipolar cycloaddition of cyclopentadiene as a third step.
ChemInform Abstract: A Comparative Suzuki Reaction of Aryl Halides Using a New Dimeric Orthopalladated Complex under Conventional and Microwave Irradiation Conditions.
Authors: Hajipour Abdol R. , Karami Kazem , Tavakoli Ghazal
Published: January 2013

A new catalytic system for a rapid Suzuki cross‐coupling reaction is developed.
ChemInform Abstract: Highly Diastereo‐ and Enantioselective Cyclopropanation of 1,2‐Disubstituted Alkenes.
Authors: Li Jun , Liao Sai‐Hu , Xiong Hu , Zhou You Yun , Sun Xiu‐Li , Zhang Yue , Zhou Xiao‐Guang , Tang Yong
Published: January 2013

Under mild reaction conditions, both cis‐ and trans‐1,2‐substituted alkenes are converted into the corresponding 1,2,3‐trisubstituted cyclopropanes with high levels of diastereo‐ and enantioselectivity using diazoacetate (III) as carbene source and bisoxazolines (I) bearing C2‐symmetry‐breaking pendant groups as ligands in the title copper‐catalyzed reaction.
ChemInform Abstract: BOROX Catalysis: Self‐Assembled Amino‐BOROX and Imino‐BOROX Chiral Broensted Acids in a Five‐Component Catalyst Assembly/Catalytic Asymmetric Aziridination.
Authors: Gupta Anil K. , Mukherjee Munmun , Hu Gang , Wulff William D.
Published: January 2013

Treatment of amines (I) with aldehydes and diazoacetate in the presence of B(O‐Ph)3 and diol (S)‐VPO allows a highly stereo‐ and chemoselective access to cis‐substituted aziridines.
ChemInform Abstract: Water‐Compatible Cascade Reaction: An Efficient Route to Substituted 2,3‐Dihydrofurans.
Authors: Zhang Ya‐Ru , Luo Fang , Huang Xu‐Jiao , Xie Jian‐Wu
Published: January 2013

An efficient domino Michael addition—alkylation reaction of 1,3‐dicarbonyl derivatives with 2‐nitroacrylates using water as solvent is developed.
ChemInform Abstract: Straightforward Acid‐Catalyzed Synthesis of Pyrrolyldipyrromethenes.
Authors: Yu Changjiang , Jiao Lijuan , Tan Xujun , Wang Jun , Xu Yajun , Wu Yangchun , Yang Gaosheng , Wang Zhaoyun , Hao Erhong
Published: January 2013

One‐ and two‐step reactions for the construction of the target compounds from halo(acetyl)‐substituted pyrroles or isoindoles and pyrroles are given.
ChemInform Abstract: Metal‐Free Synthesis of Cyclic Di‐oxoguanidines via One‐Pot Sequential Transformation of Amines, Carbodiimides and Acyl Dichlorides.
Authors: Zhao Fei , Wang Yang , Zhang Wen‐Xiong , Xi Zhenfeng
Published: January 2013

The sequential reaction of carbodiimides (I) and (XIII) with oxalyl chloride (II) and aromatic and aliphatic amines provides access towards iminoimidazolidinediones as cyclic guanidine derivatives.
ChemInform Abstract: A Diversity‐Oriented Approach to Spirocyclic and Fused Hydantoins via Olefin Metathesis.
Authors: Dhara Kalyan , Midya Ganesh Chandra , Dash Jyotirmayee
Published: January 2013

Selective N‐ and C‐alkenylation of hydantoin followed by metathesis allows an easy and efficient access to various spirocyclic and fused bicyclic hydantion derivatives.
ChemInform Abstract: Microwave‐Assisted Synthesis of Benzothiazole Derivatives Using Glycerol as Green Solvent.
Authors: Zhang Xia‐Zhong , Zhou Wen‐Jun , Yang Min , Wang Jin‐Xian , Bai Lin
Published: January 2013

Glycerol is an effective and environmentally benign medium for the synthesis of 2‐substituted benzothiazoles (III) via condensation of 2‐aminothiophenol with aldehydes under CEM‐focused microwave irradiation conditions.
ChemInform Abstract: Synthesis and Biological Evaluation of Novel Triazoles and Isoxazoles Linked 2‐Phenyl Benzothiazole as Potential Anticancer Agents.
Authors: Kumbhare Ravindra M. , Kosurkar Umesh B. , Ramaiah M. Janaki , Dadmal Tulshiram L. , Pushpavalli S. N. C. V. L. , Pal‐Bhadra Manika
Published: January 2013

New series of isoxazoles (III) and triazoles (V) are synthesized and evaluated for their anticancer activity against three cancer cell lines.
ChemInform Abstract: Enantioselective Bromolactonization Using an S‐Alkyl Thiocarbamate Catalyst.
Authors: Jiang Xiaojian , Tan Chong Kiat , Zhou Ling , Yeung Ying‐Yeung
Published: January 2013

Novel L‐proline‐derived catalysts are developed for the bromolactonization reaction leading to δ‐ [cf.
ChemInform Abstract: Metal Catalyzed C(sp3)—H Bond Amination of 2‐Alkyl Azaarenes with Diethyl Azodicarboxylate.
Authors: Liu Jin‐Ying , Niu Hong‐Ying , Wu Shan , Qu Gui‐Rong , Guo Hai‐Ming
Published: January 2013

Novel metal‐catalyzed benzylic amination of 2‐alkylquinolines and ‐pyridines are described.
ChemInform Abstract: Transition‐Metal‐Free Synthesis of Quinoxalines from o‐Phenylenediamines and Arylacetaldehydes under Basic Conditions.
Authors: Song Jinli , Li Xiaolong , Chen Yongxin , Zhao Mingming , Dou Yani , Chen Baohua
Published: January 2013

The novel approach furnishes the quinoxalines in moderate to good yields by the direct oxidative condensation of o‐phenylenediamines with arylacetaldehydes.
ChemInform Abstract: Direct Halogenation Reactions in 2,3‐Dihydro‐4(1H)‐quinazolinones.
Authors: Cabrera‐Rivera Fanny A. , Ortiz‐Nava Claudia , Roman‐Bravo Perla , Leyva Marco A. , Escalante Jaime
Published: January 2013

Direct halogenation reactions of title compounds (I) with N‐halosuccinimide or Br2/Et3N afford 6,8‐dihalogen substituted products with moderate to good yields in short reaction times.
ChemInform Abstract: Synthesis of Novel Quinolone and Coumarin Based 1,3,4‐Thiadiazolyl and 1,3,4‐Oxadiazolyl N‐Mannich Bases as Potential Antimicrobials.
Authors: Patel Rahul V. , Patel Jigar K. , Kumari Premlata , Chikhalia Kishor H.
Published: January 2013

All new compounds (IX) and (XI) reveal excellent antimicrobial and antifungal activities.
ChemInform Abstract: Regioselective Synthesis of Fraxinellone‐Based Hydrazone Derivatives as Insecticidal Agents.
Authors: Guo Yong , Yan Yuan‐Yuan , Yang Chun , Yu Xiang , Zhi Xiao‐Yan , Xu Hui
Published: January 2013

Starting from the naturally occurring degraded limonoid fraxinellone (I) a series of new hydrazones (IV) and (VI) are prepared and tested for their insecticidal activity against the pre‐third‐instar larvae of Mythimma separata Walker.
ChemInform Abstract: Simple Analogues of Qinghaosu (Artemisinin).
Authors: Li Yun , Hao Hong‐Dong , Wittlin Sergio , Wu Yikang
Published: January 2013

A series of 1,2,4‐trioxane compounds are prepared via a reaction sequence involving molybdenum‐catalyzed perhydrolysis of epoxy rings as the key steps.
ChemInform Abstract: Essential Structure of Opioid ϰ Receptor Agonist Nalfurafine for Binding to ϰ Receptor 1: Synthesis of Decahydroisoquinoline Derivatives and Their Pharmacologies.
Authors: Nagase Hiroshi , Imaide Satomi , Yamada Takaaki , Hirayama Shigeto , Nemoto Toru , Yamaotsu Noriyuki , Hirono Shuichi , Fujii Hideaki
Published: January 2013

trans‐Fused decahydroisoquinoline derivatives without a phenol ring (I) are found to bound the opioid receptor in the micromolar range.
ChemInform Abstract: Development of Organic Conductors with Self‐Assembled Architectures of Biomolecules: Synthesis and Crystal Structures of Nucleobase‐Functionalized Tetrathiafulvalene Derivatives
Authors: Murata Tsuyoshi , Miyazaki Eigo , Maki Suguru , Umemoto Yoshikazu , Ohmoto Makoto , Nakasuji Kazuhiro , Morita Yasushi
Published: January 2013

such as (III)
ChemInform Abstract: Stereoselective Synthesis of the C1—C16 Fragment (VII) of Goniodomin A
Authors: Nakajima Motohiro , Fuwa Haruhiko , Sasaki Makoto
Published: January 2013

involving the Stille‐type coupling of thioester (II) with vinylstannane (III) and spiroacetalization of diol mixture (V)/(VI) as the key steps
ChemInform Abstract: Carbon Dioxide as a Carbon Resource — Recent Trends and Perspectives
Authors: Hoelscher Markus , Guertler Christoph , Keim Wilhelm , Mueller Thomas E. , Peters Martina , Leitner Walter
Published: January 2013

Review: 136 refs.
ChemInform Abstract: Nucleic Acid Aptamers: An Emerging Frontier in Cancer Therapy
Authors: Zhu Guizhi , Ye Mao , Donovan Michael J. , Song Erqun , Zhao Zilong , Tan Weihong
Published: January 2013

Review: 114 refs.
ChemInform Abstract: Recent Development in Aerobic Oxidation of Amines
Authors: Xin Bo‐Tao , Zhou Qing‐Fa , Lu Tao
Published: January 2013

Review: 67 refs.
ChemInform Abstract: A Comprehensive Review of Direct Carbon Fuel Cell Technology
Authors: Giddey S. , Badwal S. P. S. , Kulkarni A. , Munnings C.
Published: January 2013

Review: 240 refs.
ChemInform Abstract: A Study on the Role of Reaction Modeling in Multi‐Phase CFD‐Based Simulations of Chemical Looping Combustion
Authors: Kruggel‐Emden H. , Stepanek F. , Munjiza A.
Published: January 2013

Review: 54 refs.
The Ecological Restoration of Heavily Degraded Saline Wetland in the Yellow River Delta
Authors: Guan Bo , Yu Junbao , Cao Di , Li Yunzhao , Han Guangxuan , Mao Peili
Published: January 2013

As a result of discontinuous water flow, agriculture, and increasing urban use of fresh water affecting the natural wetlands of the Yellow River Delta, these areas have experienced significant degradation in the past two decades, ultimately diminishing the overall natural wetland land area in the region. This study aimed to address the issue of decreasing fresh water in the Yellow River Delta by studying the effects of three different approaches to restoration on long‐term wetland recovery. The results of the study demonstrated that soil salt and available Na contents significantly decreased in response to all three restoration treatments. Impacts of the restoration treatments were more significant in 2009 than in 2010, as shown by the high rate of activity in the reed debris group. The highest phosphatase activity of the experimental period was also observed in the reed debris group. Meanwhile, a marked variation in soil nutrient elements (total carbon (TC), total nitrogen (TN), available phosphorus, and available potassium) was observed in the restoration treatment plots throughout the experimental period. TC and TN contents were generally higher in the restoration treatment groups than in the control group. Moreover, urease and phosphatase activity levels were highly correlated with one another, as well as with soil nutrient elements. In 2009, the yield of the Suaeda salsa plant was highest in the reed debris treatment group and lowest in the ploughing treatment group. The S. salsa plant did show a positive response to all of the different restoration treatments. Taken together, these results suggest that restoration approaches that implement ploughing techniques aided in the restoration of degraded saline wetlands.
Rac1 recruitment to the archipelago structure of the focal adhesion through the fluid membrane as revealed by single‐molecule analysis
Authors: Shibata Akihiro C. E. , Chen Limin H. , Nagai Rie , Ishidate Fumiyoshi , Chadda Rahul , Miwa Yoshihiro , Naruse Keiji , Shirai Yuki M. , Fujiwara Takahiro K. , Kusumi Akihiro
Published: January 2013

The focal adhesion (FA) is an integrin‐based structure built in/on the plasma membrane (PM), linking the extracellular matrix to the actin stress‐fibers, working as cell migration scaffolds. Previously, we proposed the archipelago architecture of the FA, in which FA largely consists of fluid membrane, dotted with small islands accumulating FA proteins: membrane molecules enter the inter‐island channels in the FA zone rather freely, and the integrins in the FA‐protein islands rapidly exchanges with those in the bulk membrane. Here, we examined how Rac1, a small G‐protein regulating FA formation, and its activators αPIX and βPIX, are recruited to the FA zones. PIX molecules are recruited from the cytoplasm to the FA zones directly. In contrast, majorities of Rac1 molecules first arrive from the cytoplasm on the general inner PM surface, and then enter the FA zones via lateral diffusion on the PM, which is possible due to rapid Rac1 diffusion even within the FA zones, slowed only by a factor of two to four compared with that outside. The constitutively‐active Rac1 mutant exhibited temporary and all‐time immobilizations in the FA zone, suggesting that upon PIX‐induced Rac1 activation at the FA‐protein islands, Rac1 tends to be immobilized at the FA‐protein islands. © 2013 Wiley Periodicals, Inc
Novel Type II Fatty Acid Biosynthesis (FAS II) Inhibitors as Multistage Antimalarial Agents
Authors: Schrader Florian C. , Glinca Serghei , Sattler Julia M. , Dahse Hans‐Martin , Afanador Gustavo A. , Prigge Sean T. , Lanzer Michael , Mueller Ann‐Kristin , Klebe Gerhard , Schlitzer Martin
Published: January 2013

Malaria is a potentially fatal disease caused by Plasmodium parasites and poses a major medical risk in large parts of the world. The development of new, affordable antimalarial drugs is of vital importance as there are increasing reports of resistance to the currently available therapeutics. In addition, most of the current drugs used for chemoprophylaxis merely act on parasites already replicating in the blood. At this point, a patient might already be suffering from the symptoms associated with the disease and could additionally be infectious to an Anopheles mosquito. These insects act as a vector, subsequently spreading the disease to other humans. In order to cure not only malaria but prevent transmission as well, a drug must target both the blood‐ and pre‐erythrocytic liver stages of the parasite. P. falciparum (Pf) enoyl acyl carrier protein (ACP) reductase (ENR) is a key enzyme of plasmodial type II fatty acid biosynthesis (FAS II). It has been shown to be essential for liver‐stage development of Plasmodium berghei and is therefore qualified as a target for true causal chemoprophylaxis. Using virtual screening based on two crystal structures of PfENR, we identified a structurally novel class of FAS inhibitors. Subsequent chemical optimization yielded two compounds that are effective against multiple stages of the malaria parasite. These two most promising derivatives were found to inhibit blood‐stage parasite growth with IC50 values of 1.7 and 3.0 μM and lead to a more prominent developmental attenuation of liver‐stage parasites than the gold‐standard drug, primaquine.
A “Clickable” MTX Reagent as a Practical Tool for Profiling Small‐Molecule–Intracellular Target Interactions via MASPIT
Authors: Risseeuw Martijn D. P. , De Clercq Dries J. H. , Lievens Sam , Hillaert Ulrik , Sinnaeve Davy , Van den Broeck Freya , Martins José C. , Tavernier Jan , Van Calenbergh Serge
Published: January 2013

We present a scalable synthesis of a versatile MTX reagent with an azide ligation handle that allows rapid γ‐selective conjugation to yield MTX fusion compounds (MFCs) appropriate for MASPIT, a three‐hybrid system that enables the identification of mammalian cytosolic proteins that interact with a small molecule of interest. We selected three structurally diverse pharmacologically active compounds (tamoxifen, reversine, and FK506) as model baits. After acetylene functionalization of these baits, MFCs were synthesized via a CuAAC reaction, demonstrating the general applicability of the MTX reagent. In analytical mode, MASPIT was able to give concentration‐dependent reporter signals for the established target proteins. Furthermore, we demonstrate that the sensitivity obtained with the new MTX reagent was significantly stronger than that of a previously used non‐regiomeric conjugate mixture. Finally, the FK506 MFC was explored in a cellular array screen for targets of FK506. Out of a pilot collection of nearly 2000 full‐length human ORF preys, FKBP12, the established target of FK506, emerged as the prey protein that gave the highest increase in luciferase activity. This indicates that our newly developed synthetic strategy for the straightforward generation of MFCs is a promising asset to uncover new intracellular targets using MASPIT cellular array screening.
Electrochemically Induced Release of a Luminescent Probe from a Rhenium‐Containing Metallopolymer
Authors: Valenti Giovanni , O'Reilly Emmet J , McNally Andrea , Keyes Tia E. , Marcaccio Massimo , Paolucci Francesco , Forster Robert J.
Published: January 2013

Invited for this month′s cover is the group of Prof. Francesco Paolucci and the group of Prof. Robert Forster and Prof. Tia E. Keyes. The cover picture shows release of the luminescent rhenium coordination complex in solution.
Performance of proex c and pretect hpv‐proofer e6/e7 mrna tests in comparison with the hybrid capture 2 hpv dna test for triaging ascus and lsil cytology
Authors: Alaghehbandan Reza , Fontaine Daniel , Bentley James , Escott Nicholas , Ghatage Prafull , Lear Adrian , Coutlee Francois , Ratnam Samuel
Published: January 2013

The clinical usefulness of the ProEx C (Becton Dickinson) and PreTect HPV‐Proofer E6/E7 mRNA tests (Proofer; Norchip) for the triage of ASCUS and LSIL cytology was determined in comparison with the Hybrid Capture 2 HPV DNA test (HC2; Qiagen). The study population consisted of women with a history of abnormal cytology referred to colposcopy. Histology‐confirmed CIN 2+ served as the disease endpoint. The study was based on 1,360 women (mean age 30.7 years), of whom 380 had CIN 2+. Among 315 with ASCUS (CIN 2+, n = 67), the sensitivities of ProEx C, Proofer, and HC2 to detect CIN 2+ were, 71.6, 71.6, and 95.5%, respectively, with a corresponding specificity of 74.6, 74.2, and 35.1%. Among 363 with LSIL (CIN 2+, n = 108), the sensitivities of ProEx C, Proofer, and HC2 were, 67.6, 74.1, and 96.3%, respectively, with a corresponding specificity of 60, 68.2, and 18.4%. Among 225 HC2‐positive ASCUS (CIN 2+, n = 64), 105 tested positive by ProEx C, reducing colposcopy referral by 53.3% and detecting 71.9% of CIN 2+; Proofer was positive in 112/225, reducing colposcopy referral by 50.2% and detecting 75.0% of CIN 2+. Among 312 HC2‐positive LSIL (CIN 2+, n = 104), 160 tested positive by ProEx C, reducing coloposcopy referral by 48.7% and detecting 66.3% of CIN 2+; Proofer was positive in 159/312, reducing colposcopy referral by 49.0% and detecting 75.0% of CIN 2+. In conclusion, both ProEx C and Proofer have a similar performance profile with a significantly higher specificity but lower sensitivity than HC2 for the detection of CIN 2+. Consequently, although they can reduce colposcopy referral, they will miss a proportion of CIN 2+ cases. This is a major limitation and should be taken into account if these tests are considered for ASCUS or LSIL triage. Diagn. Cytopathol. 2013;41:767–775. © 2013 Wiley Periodicals, Inc.