bluuebunny/crossref_metadata_2025 huggingface dataset:
Guideline model for the bias-scheme-dependent power consumption of a resistive random access memory crossbar array
Authors: Sun Wookyung , Choi Sujin , Lim Hyein , Shin Hyungsoon
Published: March 2016

The 1/2 and 1/3 bias schemes are commonly used to select a cell in a resistive random access memory (ReRAM) crossbar array. The 1/3 bias scheme is advantageous in terms of its write margin but typically requires a higher power consumption than the 1/2 bias scheme. The power consumption of ReRAM can vary according to the nonlinearity of the selector device. In this paper, we propose a power guideline model that suggests selector nonlinearity requirements to guarantee a lower power consumption for the 1/3 bias scheme than for the 1/2 bias scheme. Therefore, the selector nonlinearity requirements for the low power consumption of the 1/3 bias scheme can be immediately obtained using this guideline model without simulation.
Cost-effectiveness of antiviral therapy during late pregnancy to prevent perinatal transmission of hepatitis B virus
Authors: Wang Wenjun , Wang Jingjing , Dang Shuangsuo , Zhuang Guihua
Published: March 2016

Background.Hepatitis B virus (HBV) infections are perinatally transmitted from chronically infected mothers. Supplemental antiviral therapy during late pregnancy with lamivudine (LAM), telbivudine (LdT), or tenofovir (TDF) can substantially reduce perinatal HBV transmission compared to postnatal immunoprophylaxis (IP) alone. However, the cost-effectiveness of these measures is not clear.

Aim.This study evaluated the cost-effectiveness from a societal perspective of supplemental antiviral agents for preventing perinatal HBV transmission in mothers with high viral load (>6 log10copies/mL).

Methods.A systematic review and network meta-analysis were performed for the risk of perinatal HBV transmission with antiviral therapies. A decision analysis was conducted to evaluate the clinical and economic outcomes in China of four competing strategies: postnatal IP alone (strategy IP), or in combination with perinatal LAM (strategy LAM + IP), LdT (strategy LdT + IP), or TDF (strategy TDF + IP). Antiviral treatments were administered from week 28 of gestation to 4 weeks after birth. Outcomes included treatment-related costs, number of infections, and quality-adjusted life years (QALYs). One- and two-way sensitivity analyses were performed to identify influential clinical and cost-related variables. Probabilistic sensitivity analyses were used to estimate the probabilities of being cost-effective for each strategy.

Results.LdT + IP and TDF + IP averted the most infections and HBV-related deaths, and gained the most QALYs. IP and TDF + IP were dominated as they resulted in less or equal QALYs with higher associated costs. LdT + IP had an incremental $2,891 per QALY gained (95% CI [$932–$20,372]) compared to LAM + IP (GDP per capita for China in 2013 was $6,800). One-way sensitivity analyses showed that the cost-effectiveness of LdT + IP was only sensitive to the relative risk of HBV transmission comparing LdT + IP with LAM + IP. Probabilistic sensitivity analyses demonstrated that LdT + IP was cost-effective in most cases across willingness-to-pay range of $6,800 ∼ $20,400 per QALY gained.

Conclusions.For pregnant HBV-infected women with high levels of viremia, supplemental use of LdT during late pregnancy combined with postnatal IP for infants is cost-effective in China.
Evolution ofPhilodendron(Araceae) species in Neotropical biomes
Authors: Loss-Oliveira Leticia , Sakuragui Cassia , Soares Maria de Lourdes , Schrago Carlos G.
Published: March 2016

Philodendronis the second most diverse genus of the Araceae, a tropical monocot family with significant morphological diversity along its wide geographic distribution in the Neotropics. Although evolutionary studies ofPhilodendronwere conducted in recent years, the phylogenetic relationship among its species remains unclear. Additionally, analyses conducted to date suggested the inclusion of all American representatives of a closely-related genus,Homalomena, within thePhilodendronclade. A thorough evaluation of the phylogeny and timescale of these lineages is thus necessary to elucidate the tempo and mode of evolution of this large Neotropical genus and to unveil the biogeographic history ofPhilodendronevolution along the Amazonian and Atlantic rainforests as well as open dry forests of South America. To this end, we have estimated the molecular phylogeny for 68Philodendronspecies, which consists of the largest sampling assembled to date aiming the study of the evolutionary affinities. We have also performed ancestral reconstruction of species distribution along biomes. Finally, we contrasted these results with the inferred timescale ofPhilodendronandHomalomenalineage diversification. Our estimates indicate that AmericanHomalomenais the sister clade toPhilodendron. The early diversification ofPhilodendrontook place in the Amazon forest from Early to Middle Miocene, followed by colonization of the Atlantic forest and the savanna-like landscapes, respectively. Based on the age of the last common ancestor ofPhilodendron, the species of this genus diversified by rapid radiations, leading to its wide extant distribution in the Neotropical region.
UniProt Tools
Authors: Pundir Sangya , Martin Maria J. , O'Donovan Claire ,   The UniProt Consortium
Published: March 2016

The Universal Protein Resource (UniProt) is a comprehensive resource for protein sequence and annotation data (UniProt Consortium, 2015). The UniProt Web site receives ∼400,000 unique visitors per month and is the primary means to access UniProt. Along with various datasets that you can search, UniProt provides three main tools. These are the ‘BLAST’ tool for sequence similarity searching, the ‘Align’ tool for multiple sequence alignment, and the ‘Retrieve/ID Mapping’ tool for using a list of identifiers to retrieve UniProtKB proteins and to convert database identifiers from UniProt to external databases or vice versa. This unit provides three basic protocols, three alternate protocols, and two support protocols for using UniProt tools. © 2016 by John Wiley & Sons, Inc.
Finding Protein and Nucleotide Similarities with FASTA
Authors: Pearson William R.
Published: March 2016

The FASTA programs provide a comprehensive set of rapid similarity searching tools (fasta36, fastx36, tfastx36, fasty36, tfasty36), similar to those provided by the BLAST package, as well as programs for slower, optimal, local, and global similarity searches (ssearch36, ggsearch36), and for searching with short peptides and oligonucleotides (fasts36, fastm36). The FASTA programs use an empirical strategy for estimating statistical significance that accommodates a range of similarity scoring matrices and gap penalties, improving alignment boundary accuracy and search sensitivity. The FASTA programs can produce “BLAST‐like” alignment and tabular output, for ease of integration into existing analysis pipelines, and can search small, representative databases, and then report results for a larger set of sequences, using links from the smaller dataset. The FASTA programs work with a wide variety of database formats, including mySQL and postgreSQL databases. The programs also provide a strategy for integrating domain and active site annotations into alignments and highlighting the mutational state of functionally critical residues. These protocols describe how to use the FASTA programs to characterize protein and DNA sequences, using protein:protein, protein:DNA, and DNA:DNA comparisons. © 2016 by John Wiley & Sons, Inc.
A consistent model for fluid distribution, viscosity distribution, and flow‐thermal structure in subduction zone
Authors: Horiuchi Shun‐suke , Iwamori Hikaru
Published: March 2016

Water plays crucial roles in the subduction zone dynamics affecting the thermal‐flow structure through the fluid processes. We aim to understand what controls the dynamics and construct a model to solve consistently fluid generation, fluid transport, its reaction with the solid and resultant viscosity, and thermal‐flow structure. We highlight the effect of mechanical weakening of rocks associated with hydration. The viscosity of serpentinite (ηserp) in subduction zones critically controls the flow‐thermal structure via extent of mechanical coupling between the subducting slab and overlying mantle wedge. When ηserp is greater than 1021 Pa s, the thermal‐flow structure reaches a steady state beneath the volcanic zone, and the melting region expands until Cin (initial water content in the subducting oceanic crust) reaches 3 wt %, and it does not expand from 3 wt %. On the other hand, when ηserp is less than 1019 Pa s, the greater water dependence of viscosity (expressed by a larger fv) confines a hot material to a narrower channel intruding into the wedge corner from a deeper part of the back‐arc region. Consequently, the overall heat flux becomes less for a larger fv. When ageba (age of back‐arc basin as a rifted lithosphere) = 7.5 Ma, the increase in fv weakens but shifts the melting region toward the trench side because of the narrow channel flow intruding into the wedge corner, where as it shuts down melting when ageba=20 Ma. Several model cases (particularly those with ηserp=1020 to 1021 Pa s and a relatively large fv for Cin=2 to 3 wt %) broadly account for the observations in the Northeast Japan arc (i.e., location and width of volcanic chain, extent of serpentinite, surface heat flow, and seismic tomography), although the large variability of surface heat flow and seismic tomographic images does not allow us to constrain the parameter range tightly.
Sea level anomaly on the Patagonian continental shelf: Trends, annual patterns and geostrophic flows
Authors: Ruiz Etcheverry L. A. , Saraceno M. , Piola A. R. , Strub P. T.
Published: March 2016

We study the annual patterns and linear trend of satellite sea level anomaly (SLA) over the southwest South Atlantic continental shelf (SWACS) between 54ºS and 36ºS. Results show that south of 42°S the thermal steric effect explains nearly 100% of the annual amplitude of the SLA, while north of 42°S it explains less than 60%. This difference is due to the halosteric contribution. The annual wind variability plays a minor role over the whole continental shelf. The temporal linear trend in SLA ranges between 1 and 5 mm/yr (95% confidence level). The largest linear trends are found north of 39°S, at 42°S and at 50°S. We propose that in the northern region the large positive linear trends are associated with local changes in the density field caused by advective effects in response to a southward displacement of the South Atlantic High. The causes of the relative large SLA trends in two southern coastal regions are discussed as a function meridional wind stress and river discharge. Finally, we combined the annual cycle of SLA with the mean dynamic topography to estimate the absolute geostrophic velocities. This approach provides the first comprehensive description of the seasonal component of SWACS circulation based on satellite observations. The general circulation of the SWACS is northeastward with stronger/weaker geostrophic currents in austral summer/winter. At all latitudes, geostrophic velocities are larger (up to 20 cm/s) close to the shelf‐break and decrease toward the coast. This spatio‐temporal pattern is more intense north of 45°S.
Frequency and impact of summertime stratospheric intrusions over Maryland during DISCOVER‐AQ (2011): New evidence from NASA's GEOS‐5 simulations
Authors: Ott Lesley E. , Duncan Bryan N. , Thompson Anne M. , Diskin Glenn , Fasnacht Zachary , Langford Andrew O. , Lin Meiyun , Molod Andrea M. , Nielsen J. Eric , Pusede Sally E. , Wargan Krzysztof , Weinheimer Andrew J. , Yoshida Yasuko
Published: March 2016

Aircraft observations and ozonesonde profiles collected on 14 and 27 July 2011, during the Maryland month‐long Deriving Information on Surface conditions from Column and Vertically Resolved Observations Relevant to Air Quality (DISCOVER‐AQ) campaign, indicate the presence of stratospheric air just above the planetary boundary layer (PBL). This raises the question of whether summer stratospheric intrusions (SIs) elevate surface ozone levels and to what degree they influence background ozone levels and contribute to ozone production. We used idealized stratospheric air tracers, along with observations, to determine the frequency and extent of SIs in Maryland during July 2011. On 4 of 14 flight days, SIs were detected in layers that the aircraft encountered above the PBL from the coincidence of enhanced ozone, moderate CO, and low moisture. Satellite observations of lower tropospheric humidity confirmed the occurrence of synoptic‐scale influence of SIs as do simulations with the GEOS‐5 atmospheric general circulation model. The evolution of GEOS‐5 stratospheric air tracers agrees with the timing and location of observed stratospheric influence and indicates that more than 50% of air in SI layers above the PBL had resided in the stratosphere within the previous 14 days. Despite having a strong influence in the lower free troposphere, these events did not significantly affect surface ozone, which remained low on intrusion days. The model indicates similar frequencies of stratospheric influence during all summers from 2009 to 2013. GEOS‐5 results suggest that over Maryland, the strong inversion capping the summer PBL limits downward mixing of stratospheric air during much of the day, helping to preserve low surface ozone associated with frontal passages that precede SIs.
Stable carbon isotopic compositions of low‐molecular‐weight dicarboxylic acids, oxocarboxylic acids, α‐dicarbonyls, and fatty acids: Implications for atmospheric processing of organic aerosols
Authors: Zhang Yan‐Lin , Kawamura Kimitaka , Cao Fang , Lee Meehye
Published: March 2016

Stable carbon isotopic compositions (δ13C) were measured for 23 individual organic species including 9 dicarboxylic acids, 7 oxocarboxylic acids, 1 tricarboxylic acid, 2 α‐dicarbonyls, and 4 fatty acids in the aerosols from Gosan background site in East Asia. δ13C values of particle phase glyoxal and methylglyoxal are significantly larger than those previously reported for isoprene and other precursors. The values are consistently less negative in oxalic acid (C2, average −14.1‰), glyoxylic acid (−13.8‰), pyruvic acid (−19.4‰), glyoxal (−13.5‰), and methylglyoxal (−18.6‰) compared to other organic species (e.g., palmitic acid, −26.3‰), which can be explained by the kinetic isotope effects during atmospheric oxidation of pre‐aged precursors (e.g., isoprene) and the subsequent gas‐particle partitioning after the evaporation of clouds or wet aerosols. The δ13C values of C2 is positively correlated with C2 to organic carbon ratio, indicating that photochemical production of C2 is more pronounced than its degradation during long‐range atmospheric transport. The isotopic results also suggest that aqueous phase oxidation of glyoxal and methylglyoxal is a major formation process of oxalic acid via the intermediates such as glyoxylic acid and pyruvic acid. This study provides evidence that organic aerosols are intensively photochemically aged in the western North Pacific rim.
Topographic roughness of the northern high latitudes of Mercury from MESSENGER Laser Altimeter data
Authors: Fa Wenzhe , Cai Yuzhen , Xiao Zhiyong , Tian Wei
Published: March 2016

We investigated topographic roughness for the northern hemisphere (>45°N) of Mercury using high‐resolution topography data acquired by the Mercury Laser Altimeter (MLA) on board the MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft. Our results show that there are distinct differences in the bidirectional slope and root‐mean‐square (RMS) height among smooth plains (SP), intercrater plains (ICP), and heavily cratered terrain (HCT), and that the ratios of the bidirectional slope and RMS height among the three geologic units are both about 1:2:2.4. Most of Mercury's surface exhibits fractal‐like behavior on the basis of the linearity in the deviograms, with median Hurst exponents of 0.66, 0.80, and 0.81 for SP, ICP, and HCT, respectively. The median differential slope map shows that smooth plains are smooth at kilometer scale and become rough at hectometer scale, but they are always rougher than lunar maria at the scales studied. In contrast, intercrater plains and heavily cratered terrain are rough at kilometer scale and smooth at hectometer scale, and they are rougher than lunar highlands at scale <∼2 km but smoother at >∼2 km. We suggest that these scale‐dependent roughness characteristics are mainly caused by the difference in density and shape of impact craters between Mercury and the Moon.
Appreciation of the 2015 JGR Space Physics peer reviewers
Authors: Liemohn Michael W. , Balikhin Michael , Kepko Larry , Rodger Alan , Wang Yuming
Published: March 2016

The Editors of the Journal of Geophysical Research Space Physics extend their deepest gratitude to the 1506 scientists that have peer reviewed one or more manuscripts for the journal.
Cycle‐phase dependent associations between CRP, leptin, and reproductive hormones in an urban, Canadian sample
Authors: Clancy Kathryn B.H. , Baerwald Angela R. , Pierson Roger A.
Published: March 2016

Objectives

To assess the relationships among reproductive hormones, follicular development, inflammation, and adiposity in a sample of urban, Canadian women.

Materials and Methods

Participants (n = 41) had blood collected every 3 days through one interovulatory interval (IOI) to measure estradiol, progesterone, LH, FSH, leptin, and C‐reactive protein (CRP). Participants underwent daily transvaginal ultrasound examinations during the IOI to quantify all follicles > 2 mm. CRP and leptin tertiles were used to compare conditions of high and low inflammatory processes and adiposity, respectively.

Results

Luteal phase estradiol, luteal phase LH, and follicular phase progesterone were lower among individuals in the highest CRP tertile (adjusted r2 = 0.63, 0.70, 0.76, respectively). Luteal and follicular phase follicle diameter was greatest in the high CRP tertile (adjusted r2 = 0.68, 0.71). Follicular phase progesterone was lowest among individuals in the highest leptin tertile, and follicular phase FSH was lowest among individuals in the lowest leptin tertile (adjusted r2 = 0.54, 0.45). Luteal phase follicle diameter was highest among those in the moderate leptin tertile (adjusted r2 = 0.49).

Discussion

This study is a first comprehensive assessment of the relationship between multiple ovarian function components and inflammatory biomarkers. The results are interpreted to mean that inflammatory and energetic stressors produce differential effects depending on population, adiposity, and cycle phase. Am J Phys Anthropol 160:389–396, 2016. © 2016 Wiley Periodicals, Inc.
Directed Self‐Assembly Pathways of Active Colloidal Clusters
Authors: Zhang Jie , Yan Jing , Granick Steve
Published: March 2016

Despite the mounting interest in synthetic active particles, too little is known about their assembly into higher‐order clusters. Here, mixing bare silica particles with Janus particles that are self‐propelled in electric fields, we assemble rotating chiral clusters of various sorts, their structures consisting of active particles wrapped around central “hub” particles. These clusters self‐assemble from the competition between standard energetic interactions and the need to be stable as the clusters rotate when the energy source is turned on, and fall apart when the energy input is off. This allows one to guide the formation of intended clusters, as the final structure depends notably on the sequence of steps in which the clusters form.
A Vancomycin Derivative with a Pyrophosphate‐Binding Group: A Strategy to Combat Vancomycin‐Resistant Bacteria
Authors: Yarlagadda Venkateswarlu , Sarkar Paramita , Samaddar Sandip , Haldar Jayanta
Published: March 2016

Vancomycin, the drug of last resort for Gram‐positive bacterial infections, has also been rendered ineffective by the emergence of resistance in such bacteria. To combat the threat of vancomycin‐resistant bacteria (VRB), we report the development of a dipicolyl–vancomycin conjugate (Dipi‐van), which leads to enhanced inhibition of cell‐wall biosynthesis in VRB and displays in vitro activity that is more than two orders of magnitude higher than that of vancomycin. Conjugation of the dipicolyl moiety, which is a zinc‐binding ligand, endowed the parent drug with the ability to bind to pyrophosphate groups of cell‐wall lipids while maintaining the inherent binding affinity for pentapeptide termini of cell‐wall precursors. Furthermore, no detectable resistance was observed after several serial passages, and the compound reduced the bacterial burden by a factor of 5 logs at 12 mg kg−1 in a murine model of VRB kidney infection. The findings presented in this report stress the potential of our strategy to combat VRB infections.
Manufacturing and characterization of polyether ether ketone/methyl phenyl polysiloxane composite coatings
Authors: Barletta Massimiliano , Gisario A. , Puopolo M. , Vesco S.
Published: March 2016

In this work, manufacturing and characterization of single‐ and multilayer polyether ether ketone (PEEK)‐reinforced coatings were investigated. Hybrid composites of thermoplastic reinforcing agents in a thermoset resin was, therefore, achieved by dispersing large PEEK particles (∼85 μm diameter) in methyl phenyl polysiloxane (MPP). First, mechanism of formation of the polymeric networks during MPP curing at different temperatures (250–400 °C) was analyzed. The different arrangements of the PEEK powders inside the cross‐linked network of the MPP resin were, thus, disclosed. Second, the effect of process parameters on visual appearance, morphological features, and mechanical response of the composite coatings was evaluated by contact gauge profilometry, scanning electron microscopy, IR spectrometry, and microscratch indentations. Moderate temperature curing (250 °C > T > 300 °C) of the composite coatings led to polysiloxane resins harder, well adhered on the metal and able to retain better the PEEK reinforce. Further increase in curing temperature (350 and 400 °C) might embrittle the polysiloxane resin, with the PEEK powders in it partially attenuating the loss of properties of the composite coating. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43609.
ChemInform Abstract: Enhancing the Hardness of Superhard Transition‐Metal Borides: Molybdenum‐Doped Tungsten Tetraboride.
Authors: Mohammadi Reza , Turner Christopher L. , Xie Miao , Yeung Michael T. , Lech Andrew T. , Tolbert Sarah H. , Kaner Richard B.
Published: March 2016

The superhard solid solution W1‐xMoxB4 (x = 0.00—0.50) is systematically investigated by arc melting of the elements using a B:W ratio of 12:1 (<2020 °C, ≈3 min).
ChemInform Abstract: Ferromagnetic Ordering in Single‐Crystalline U2RhSi3 with Fully Ordered Crystal Structure.
Authors: Szlawska Maria , Majewicz Magdalena , Kaczorowski Dariusz
Published: March 2016

A single crystal of the title compound is grown from high‐purity elements using the Czochralski method.
ChemInform Abstract: Facile Synthesis, Structure and Physical Properties of 3R‐AxNbS2 (A: Li, Na).
Authors: Hao Qiaoyan , Wang Dake , Zhu Baichuan , Zeng Suyuan , Gao Zhan , Wang Yan , Li Biao , Wang Yongkun , Tang Zhenke , Tang Kaibin
Published: March 2016

Li and Na intercalates of 3R‐Nb1+xS2 are obtained from the reaction of the host with alkali metal naphthalenides in anhydrous THF using alkali metal/host ratios of 0.5—15 (25 °C, 1—7 d).
ChemInform Abstract: Enantioselective Phase‐Transfer‐Catalyzed Synthesis of Chiral N‐Substituted 3,3‐Dinitroazetidines by Aza‐Michael Reaction.
Authors: Lee Hyo‐Jun , Cho Chang‐Woo
Published: March 2016

Using a chiral quinidine‐derived catalyst, the title reaction between 3,3‐dinitroazetidine (I) and α,β‐unsaturated ketones (II) and (IV) gives the aza‐Michael adducts (R)‐III and (R)‐V in good to high yields and with excellent enantioselectivities.
ChemInform Abstract: Copper(II)‐Promoted, One‐Pot Conversion of 1‐Alkynes with Anhydrides or Primary Amines to the Respective 2,5‐Disubstituted Furans or Pyrroles under Microwave Irradiation Conditions.
Authors: Lee Hyejeong , Yi Yeonhui , Jun Chul‐Ho
Published: March 2016

The method allows an efficient approach to the desired heterocycles within a short time.
ChemInform Abstract: Ring Expansions of Acyloxy Nitroso Compounds.
Authors: Hadimani Mallinath B. , Mukherjee Rajeswari , Banerjee Ranjan , Shoman Mai E. , Aly Omar M. , King S. Bruce
Published: March 2016

The acyloxy nitroso compounds undergo two separate ring expansion reactions.
ChemInform Abstract: Copper‐Catalyzed [2 + 1] Annulation of Acetophenones with Maleimides: Direct Synthesis of Cyclopropanes.
Authors: Manna Srimanta , Antonchick Andrey P.
Published: March 2016

A novel copper‐catalyzed oxidative cyclopropanation of maleimides and activated alkenes using acetophenones as reaction component and di‐tert‐butylperoxide as the terminal oxidant is presented.
ChemInform Abstract: Process Development of CuI/ABNO/NMI‐Catalyzed Aerobic Alcohol Oxidation.
Authors: Steves Janelle E. , Preger Yuliya , Martinelli Joseph R. , Welch Christopher J. , Root Thatcher W. , Hawkins Joel M. , Stahl Shannon S.
Published: March 2016

A Cu/nitroxyl catalyst system for aerobic oxidation of primary and secondary alcohols is developed.
ChemInform Abstract: Nucleophilic Difluoroalkylation of Isocyanates with Difluoromethyl 2‐Pyridyl Sulfone.
Authors: Li Shan , Peng Peng , Wei Jun , Hu Yongzhou , Hu Jinbo , Sheng Rong
Published: March 2016

The title reaction is applied to various aliphatic and aromatic isocyanates and the sulfur analogues (VI) to produce the expected difluoro acetamides.
ChemInform Abstract: Branch‐Selective Alkene Hydroarylation by Cooperative Destabilization: Iridium‐Catalyzed ortho‐Alkylation of Acetanilides.
Authors: Crisenza Giacomo E. M. , Sokolova Olga O. , Bower John F.
Published: March 2016

Ir‐catalyzed reaction of variously substituted N‐acetylanilines with styrenes and mono‐alkyl olefins results in directed C—H alkylation to give selectively branched ortho‐alkylated products.
ChemInform Abstract: Passerini Three‐Component Adducts as Radical Scavengers.
Authors: Wang Rui , Liu Zai‐Qun
Published: March 2016

Eighteen α‐acyloxycarboxamides are synthesized via the Passerini three‐component reaction and the products are investigated for their inhibitory activities toward DNA oxidation and radicals.
ChemInform Abstract: The First Electrocatalytic Stereoselective Multicomponent Synthesis of Cyclopropanecarboxylic Acid Derivatives.
Authors: Vereshchagin Anatoly N. , Elinson Michail N. , Egorov Mikhail P.
Published: March 2016

The title synthesis from aldehydes, alkyl cyanoacetate and dialkyl malonate proceeds in a simple beaker and allows multigram‐scale synthesis.
ChemInform Abstract: Expedient Synthesis of Nitrovinyl Substituted Bicyclo[2.2.2]octenone Scaffolds.
Authors: Sharma Shivangi , Naganaboina Ram Tilak , Peddinti Rama Krishna
Published: March 2016

The title scaffolds are synthesized from [4 + 2]‐cycloaddition of nitrovinyl substituted guaiacols [e.g.(I) and (VIII)] and alkenes [e.g. (II) and (VI)].
ChemInform Abstract: Formal Direct Cross‐Coupling of Phenols with Amines.
Authors: Chen Zhengwang , Zeng Huiying , Girard Simon A. , Wang Feng , Chen Ning , Li Chao‐Jun
Published: March 2016

Primary and secondary amines as well as anilines are coupled with a range of phenols affording aromatic amines.
ChemInform Abstract: Preparation of o‐Fluorophenols from Nonaromatic Precursors: Mechanistic Considerations for Adaptation to Fluorine‐18 Radiolabeling.
Authors: Yasui Norio , Mayne Christopher G. , Katzenellenbogen John A.
Published: March 2016

Some of the title compounds including estradiol derivative (IV) are prepared in a regioselective manner from α‐diazocyclohexanone units following the two‐step sequence A)‐B).
ChemInform Abstract: Catalytic Enantioselective Synthesis of Trisubstituted Secondary Allylic Alcohols Starting from Terminal Alkynes and Aldehydes.
Authors: Morimoto Haruki , Harada Toshiro
Published: March 2016

A series of enantiomerically enriched secondary allylic alcohols is prepared in a two‐step, one‐pot process via trisubstituted (E)‐vinylaluminum intermediates.
ChemInform Abstract: Asymmetric Synthesis Approach of Enantiomerically Pure Spiro‐Indenoquinoxaline Pyrrolidines and Spiro‐Indenoquinoxaline Pyrrolizidines.
Authors: Shahrestani Naeimeh , Salahi Farbod , Tavakoli Niloofar , Jadidi Khosrow , Hamzehloueian Mahshid , Notash Behrouz
Published: March 2016

An one‐pot, four‐component procedure for the synthesis of title compounds such as (V) and (IX) with high regio‐ and diastereoselectivity, through 1,3‐dipolar cycloaddition of in situ generated azomethine ylides and a cinnamoyl/crotonoyl oxazolidinone (III) is described.
ChemInform Abstract: Enantioselective Construction of Polyfunctionalized Spiroannulated Dihydrothiophenes via a Formal Thio [3 + 2] Cyclization.
Authors: Zeng Xue‐Mei , Meng Chang‐Yu , Bao Jia‐Xin , Xu Dong‐Cheng , Xie Jian‐Wu , Zhu Wei‐Dong
Published: March 2016

Using Takemoto′s organocatalyst, the reaction between (E)‐β‐nitrostyrenes (II) and N‐aryltetralon‐2‐carbothioamides (I) or (IV) gives the spiro compounds (III) and (V) with excellent chemo‐, regio‐, diastereo‐, and enantioselectivities.
ChemInform Abstract: Palladium‐Catalyzed Aminocarbonylation Reaction to Access 1,3,4‐Oxadiazoles Using Chloroform as the Carbon Monoxide Source.
Authors: Li Zhengyi , Wang Liang
Published: March 2016

2,5‐Diaryl‐1,3,4‐oxadiazoles are readily prepared from monoarylated tetrazoles and aryl iodides or bromides.
ChemInform Abstract: A Convergent, Umpoled Synthesis of 2‐(1‐Amidoalkyl)pyridines.
Authors: Johnson Tarn C , Marsden Stephen P
Published: March 2016

A convenient, one‐pot synthesis of 2‐(1‐amidoalkyl)pyridines is reported, based upon the substitution of suitably‐activated pyridine N‐oxides by azlactone nucleophiles, followed by decarboxylative azlactone ring‐opening.
ChemInform Abstract: Organocatalyzed Formal [4 + 2] Cycloaddition of in situ Generated Azoalkenes with Arylacetic Acids: An Efficient Approach to the Synthesis of 4,5‐Dihydropyridazin‐3(2H)‐ones.
Authors: Li Xuanyi , Gai Kuo , Yuan Zhenbo , Wu Jie , Lin Aijun , Yao Hequan
Published: March 2016

The reaction is suitable for the preparation of various target compounds, inter alia scaffolds of a broad spectrum of pharmaceutical agents.
ChemInform Abstract: Synthesis of Chiral 3‐Substituted 1,3,4,5‐Tetrahydro‐1,4‐benzodiazepin‐2‐ones via a Domino Copper‐Catalyzed SN2/Coupling Reaction.
Authors: Lu Dongming , Ma Chang , Yuan Shuai , Zhou Lihong , Zeng Qingle
Published: March 2016

First, the reaction of 2‐iodobenzyl bromide (Ia) with various (S)‐amino acids is investigated to produce the desired benzodiazepine structures.
ChemInform Abstract: Synthesis, Crystal Structures and Cytotoxic Activity of New 1,3,4,5‐Tetrahydro‐2H‐1,5‐benzodiazepine Derivatives.
Authors: Faidallah Hassan M. , Taib Layla A. , Albeladi Shams N. A. , Ur Rahman Mohammed E. , Al‐Zahrani Fatimah Ali , Arshad Muhammad Nadeem , Asiri Abdullah M.
Published: March 2016

Starting compounds (I) are prepared in two steps from dehydroacetic acid and phenylenediamine.
ChemInform Abstract: Two New Taxane‐Glycosides from the Needles of Taxus canadensis.
Authors: Li Nan , Yan Hui‐Min , Zhang Man‐li , Shi Qing‐Wen , Sauriol Francoise , Kiyota Hiromasa , Dong Mei
Published: March 2016

Two new taxane‐glycosides are isolated from the methanolic extract of the needles of T.canadensis.Their structures are evaluated by 1D and 2D NMR data analysis and high‐resolution fast atom bombardment mass spectroscopy.
ChemInform Abstract: Donor—Acceptor Bonding in Novel Low‐Coordinated Compounds of Boron and Group‐14 Atoms C—Sn
Authors: Frenking Gernot , Hermann Markus , Andrada Diego M. , Holzmann Nicole
Published: March 2016

Review: [85 refs.
ChemInform Abstract: Research Progress of Metal‐Organic Frameworks Based on Aromatic Polycarboxylic Acid.
Authors: Li Ling , Cao Xinyu , Huang Rudan
Published: March 2016

Review: [43 refs.
ChemInform Abstract: Aqueous Polymer Self‐Assembly Based on Cucurbit[n]uril‐Mediated Host‐Guest Interactions
Authors: Liu Ji , Tan Cindy Soo Yun , Lan Yang , Scherman Oren A.
Published: March 2016

Review: 67 refs.
ChemInform Abstract: Resolution of P‐Stereogenic P‐Heterocycles via the Formation of Diastereomeric Molecular and Coordination Complexes (a Review)
Authors: Bagi Peter , Ujj Viktoria , Czugler Matyas , Fogassy Elemer , Keglevich Gyorgy
Published: March 2016

Review: 85 refs.
ChemInform Abstract: Synthesis and Biological Activity of a Novel Acaricide, Pyflubumide
Authors: Furuya Takashi , Nakano Motofumi , Suwa Akiyuki , Yasokawa Noriaki , Fujioka Shinsuke , Machiya Kozo
Published: March 2016

Review: 24 refs.
ChemInform Abstract: Regioselectivity in the Ring Opening and Expansion of Unsymmetric Thietanes
Authors: Xu Wei , Xu Jiaxi
Published: March 2016

Review: 45 refs.
ChemInform Abstract: Photochemical Intramolecular H‐Abstractions: A Brief Account on Their Synthetic Utility
Authors: Dalal Aarti , Khanna Radhika , Kumar Dinesh , Jindal Pooja , Chaudhary Ashu , Kamboj Ramesh C.
Published: March 2016

Review: 244 refs.
ChemInform Abstract: Large‐Scale Applications of Amide Coupling Reagents for the Synthesis of Pharmaceuticals
Authors: Dunetz Joshua R. , Magano Javier , Weisenburger Gerald A.
Published: March 2016

Review: [116 refs.
ChemInform Abstract: A New Avenue to the Synthesis of Highly Substituted Pyrroles: Synthesis from N‐Propargylamines
Authors: Vessally Esmail
Published: March 2016

Review: [41 refs.
ChemInform Abstract: Acetaldehyde: A Small Organic Molecule with Big Impact on Organocatalytic Reactions
Authors: Kim Sun Min , Kim Young Sug , Kim Dong Wan , Rios Ramon , Yang Jung Woon
Published: March 2016

Review: [61 refs.
ChemInform Abstract: Bipolar Host Materials for Organic Light‐Emitting Diodes
Authors: Yook Kyoung Soo , Lee Jun Yeob
Published: March 2016

Review: [67 refs.
ChemInform Abstract: The Calcium‐Looping Technology for CO2 Capture: On the Important Roles of Energy Integration and Sorbent Behavior
Authors: Perejon Antonio , Romeo Luis M. , Lara Yolanda , Lisbona Pilar , Martinez Ana , Valverde Jose Manuel
Published: March 2016

Review: 162 refs.
ChemInform Abstract: Block Copolymers: Controlling Nanostructure to Generate Functional Materials — Synthesis, Characterization, and Engineering
Authors: Epps Thomas H. III , O'Reilly Rachel K.
Published: March 2016

Review: 111 refs.
ChemInform Abstract: Organic Functionalized Carbon Nanostructures for Functional Polymer‐Based Nanocomposites
Authors: Gatti Teresa , Vicentini Nicola , Mba Miriam , Menna Enzo
Published: March 2016

Review: [77 refs.
ChemInform Abstract: Graft Copolymers with Conducting Polymer Backbones: A Versatile Route to Functional Materials
Authors: Strover Lisa T. , Malmstroem Jenny , Travas‐Sejdic Jadranka
Published: March 2016

Review: 123 refs.
Charge is Major Determinant of Activation of the Ligand‐Responsive Multidrug Resistance Gene Regulator, BmrR
Authors: Bachas Sharrol , Kohrs Bryan , Wade Herschel
Published: March 2016

A medium‐throughput approach (80+ compounds) to investigate allosteric transcriptional control in the multidrug resistance gene regulator BmrR, with cations, zwitterions, uncharged compounds and anions, is described. Even at the allosteric level, BmrR is quite promiscuous with regard to molecular shape and structure, but it is sensitive to molecular charge. A role for charge is further supported by differences in the activation properties of structurally similar ligands displaying variable charge properties as well as differences in activation by zwitterions and uncharged ligands, which show similar binding affinities. A comparison of allosteric selectivity with the distribution of differently charged ligands in bacterial cellular environments suggests that the selectivity of charge is a major factor in discrimination of xenobiotics, and native biological compounds and metabolites. Interestingly, in eukaryotic cells, the selectivity of cationic ligands might be a protective mechanism against chemical agents that act in a promiscuous fashion.
Stability of Front Solutions of the Bidomain Equation
Authors: Mori Yoichiro , Matano Hiroshi
Published: March 2016

The bidomain model is the standard model describing electrical activity of the heart. Here we study the stability of planar front solutions of the bidomain equation with a bistable nonlinearity (the bidomain Allen‐Cahn equation) in two spatial dimensions. In the bidomain Allen‐Cahn equation a Fourier multiplier operator whose symbol is a positive homogeneous rational function of degree two (the bidomain operator) takes the place of the Laplacian in the classical Allen‐Cahn equation. Stability of the planar front may depend on the direction of propagation given the anisotropic nature of the bidomain operator. We establish various criteria for stability and instability of the planar front in each direction of propagation. Our analysis reveals that planar fronts can be unstable in the bidomain Allen‐Cahn equation in striking contrast to the classical or anisotropic Allen‐Cahn equations. We identify two types of instabilities, one with respect to long‐wavelength perturbations, the other with respect to medium‐wavelength perturbations. Interestingly, whether the front is stable or unstable under long‐wavelength perturbations does not depend on the bistable nonlinearity and is fully determined by the convexity properties of a suitably defined Frank diagram. On the other hand, stability under intermediate‐wavelength perturbations does depend on the choice of bistable nonlinearity. Intermediate‐wavelength instabilities can occur even when the Frank diagram is convex, so long as the bidomain operator does not reduce to the Laplacian. We shall also give a remarkable example in which the planar front is unstable in all directions.© 2016 Wiley Periodicals, Inc.
Apoptotic Cell Death Induced by ofLBP6A, Lipopolysaccharide Binding Protein Model Peptide, Derived from Paralichthy olivaceus on MKN‐28 Cells
Authors: Kang Chang‐Won , Kim Nan‐Hee , Park Nam Gyu , Kim Gun‐Do
Published: March 2016

Preclinical Research

The aim of this study was to evaluate the anti‐cancer effects of lipopolysaccharide binding protein (LBP) analogs derived from the marine resource Paralichthy olivaceus on MKN‐28 gastric cancer cells. Five LBP analogs were used: ofLBP1N, ofLBP2A, ofLBP4N, ofLBP5A, and ofLBP6A. ofLBP6A induced cell death of MKN‐28 cells at a concentration of 40 μM. While the anti‐proliferation effects ofLBP6A showed on MKN‐28 cells at concentration of 40 μM, it did not affect non‐cancerous HEK‐293 cells at the same concentration. The mechanism study showed that ofLBP6A lead to the inhibition of cell proliferation by apoptosis along with morphological changes. The phosphorylation of Fas associated death domain (FADD) as well as the expressions of cleaved caspase‐8, −7, and −3 were increased by ofLBP6A treatment. Increased the expression level of cleaved caspase‐3 was confirmed by immunofluorescence staining. The expressions of Bid, Bax, and cytochrome C were also increased by the treatment. However, the expressions of cellular FLICE (FADD‐like IL‐1β‐converting enzyme)‐inhibitory protein (FLIP), Bcl‐XL, and Bcl‐2 were decreased by ofLBP6A treatment. The results of this study were the first to demonstrate the apoptotic anti‐cancer effects of ofLBP6A, derived from P. olivavaceus on gastric cancer cells. Drug Dev Res 77 : 94–102, 2016.   © 2016 Wiley Periodicals, Inc.
Beyond Mandated Participation: Dealing with hydropower in the context of the water framework directive
Authors: Feichtinger Judith , Pregernig Michael
Published: March 2016

This article examines public–private interactions in the implementation of the EU Water Framework Directive (WFD). Empirically, the study analyses the processes of master planning in the highly contested arena of hydropower in Austria and Bavaria. While the WFD foresees various legally required, ‘mandated’ types of participation, the instrument of master plans was sought and employed as an additional participatory mechanism to develop strategies for mitigating water pressures caused by hydropower. In theoretical terms, the article contributes to the debate on participatory governance and public–private interactions. An analytical framework is developed and applied that recognizes four forms of public–private interaction: state governing, consultative governance, collaborative governance and lobbying. The study shows that in Bavaria the planning process showed some elements of consultation in the early phases, but later on governmental actors backed out and conventional state governing prevailed. In Austria, state governing and traditional lobbying were found to be the dominant patterns of interaction throughout the process. Neither water administration nor hydropower stakeholders opted for more far‐reaching forms of collaboration. The low levels of participation observed in both case study regions can be explained, on the one hand, by the strategic motivations and interests of the involved actors and, on the other hand, by the distinctive politico‐historical context with special discursive dynamics in energy and climate policy. Copyright © 2016 John Wiley & Sons, Ltd and ERP Environment
Synthesis, Crystal Structure and Magnetic Properties of Heteropolynuclear ReIVMII Complexes Based on the Robust [ReCl5(pyzCOO)]2– Unit (pyzCOO = 2‐pyrazinecarboxylate)
Authors: Arizaga Livia , González Ricardo , Armentano Donatella , De Munno Giovanni , Novak Miguel A. , Lloret Francesc , Julve Miguel , Kremer Carlos , Chiozzone Raúl
Published: March 2016

The syntheses, crystal structures and magnetic properties of four rhenium(IV) compounds of formulae NBu4[ReCl5(pyzCOOH)]·H2O (1), [ReCl5(µ‐pyzCOO)M(dmphen)2]·2CH3CN [M = Ni (2) and Co (3)] and {[ReCl5(µ3‐pyzCOO)]2Mn2(dmphen)3}n (4) (NBu4 = tetra‐n‐butylammonium cation, pyzCOOH = 2‐pyrazinecarboxylic acid, dmphen = 2,9‐dimethyl‐1,10‐phenanthroline) are reported herein. Compound 1 was obtained by the reaction of NBu4[ReCl5(dmf)] (dmf = dimethylformamide) with pyzCOOH in acetone, whereas the other complexes were obtained by the reaction of 1 with M(ClO4)2·6H2O [M = Ni (2), Co (3), Mn (4)] and dmphen in acetonitrile. Complex 1 is a mononuclear compound, 2 and 3 are neutral heterodinuclear complexes and 4 is a neutral chain in which each pyzCOO– bridges one ReIV and two MnII in a very unusual µ3‐binding mode. Compounds 2 and 3 behave as magnetically isolated species with intramolecular ferromagnetic coupling between ReIV and NiII or ReIV and CoII ions, respectively. In turn, weak antiferromagnetic coupling between the MnII ions through anti‐syn‐carboxylate bridges together with weak ferromagnetism below 3.1 K due to small spin canting is observed in 4.
Preparation and Supercapacitor Performance of Freestanding Polypyrrole/Polyaniline Coaxial Nanoarrays
Authors: Xie Yibing , Wang Dan , Ji Jingjing
Published: March 2016

The flexible, freestanding polypyrrole/polyaniline (PPy/PANI) coaxial nanoarray was prepared by removing a titania (TiO2) sacrificial template from PPy/TiO2/PANI, which was initially formed by selectively coating PPy and PANI on the outer and inner surfaces of individual TiO2 nanotubes. PPy/PANI formed a hybrid coaxial structure of PANI nanorods encased in PPy nanopores. The PPy/PANI coaxial nanoarray exhibited a specific capacitance of 209.5 F g−1 at 0.5 A g−1, presenting higher performance than the PPy nanopore array (114.2 F g−1). Its capacitance decreased from 157.5 to 125.2 F g−1 after 500 cycles at 2.0 A g−1, presenting a reasonable capacitance retention of 79.5 %. The flexible supercapacitor based on the PPy/PANI coaxial nanoarray demonstrated a specific capacitance of 66 F g−1 at 0.5 A g−1. The PPy/PANI coaxial nanoarray exhibited high pseudocapacitance, moderate cyclibility, and good flexibility, suggesting its promising application in flexible energy storage devices.
Coupled Eulerian‐Lagrangian simulation of the penetration and braking behaviour of ship anchors in clay
Authors: Grabe Jürgen , Wu Lingyue
Published: March 2016

Submarine power cables are buried in the seafloor for protection against external threats such as ship anchors. The determination of the optimum burial depth is still an important research topic. This paper presents numerical simulations of the penetration and braking behaviour of ship anchors in a clayey seabed. The visco‐hypoplastic constitutive model was applied to model the viscous behaviour of clay. The Runge‐Kutta‐Fehlberg 4/5 integration method was implemented in the coupled Eulerian‐Lagrangian analysis in Abaqus/Explicit to improve the efficiency and accuracy of the calculation. The soil model and the integration method were validated with a benchmark test. In the numerical simulations, typical anchor behaviours were observed and the basic mechanisms of the penetration of ship anchors in clay were revealed. Varying the simulation parameters shows the main factors (anchor size, soil strength and dragging speed) influencing the penetration depth, providing important information for the risk assessment of submarine power cables in the future.

Gekoppelte Euler‐Lagrange‐Simulation des Penetrations‐ und Bremsverhaltens von Schiffsankern im bindigen Meeresboden. Um Offshore‐Seekabel gegen Beschädigungen wie z. B. von Schiffsankern zu schützen, werden sie im Meeresgrund verlegt. Die Feststellung der optimalen Verlegetiefe ist seit langer Zeit ein wichtiges Forschungsthema, da die Verlegung der Kabel eine große Herausforderung darstellt. In diesem Beitrag wird das Penetrations‐ und Bremsverhalten des Schiffsankers im bindigen Meeresboden mithilfe von numerischen Simulationen untersucht. Aufgrund der großen Verformungen des Bodens werden die Simulationen mit der gekoppelten Euler‐Lagrangeschen Methode in Abaqus/Explizit durchgeführt. Das viskohypoplastische Stoffmodell wird eingesetzt, um das viskose Verhalten des bindigen Bodens zu modellieren. Die Implementierung des Runge‐Kutta‐Fehlberg‐4/5‐Integrationsverfahrens hat die Effizienz und die Genauigkeit der FE‐Berechnung erhöht. In den numerischen Simulationen werden typische Ankerverhalten beobachtet und der Eindringmechanismus wird analysiert. Variationen der Simulationsparameter deuten auf wichtige Einflussfaktoren (Ankergröße, Bodenfestigkeit und Ziehgeschwindigkeit des Schiffes) der Penetrationstiefe hin.
TCR signaling by conventional CD4+ T cells is required for optimal maintenance of peripheral regulatory T cell numbers
Authors: Leichner Theresa M. , Satake Atsushi , Kambayashi Taku
Published: March 2016

To maintain immune tolerance, regulatory T cell (Treg) numbers must be closely indexed to the number of conventional T cells (Tconvs) so that an adequate Treg:Tconv ratio can be maintained. Two factors important in this process are the cytokine interleukin‐2 (IL‐2) and T cell receptor (TCR) stimulation by major histocompatibility complex class II (MHC‐II). Here, we report that in addition to TCR stimulation of Tregs themselves, the maintenance of Tregs also requires TCR signaling by Tconvs. We found that Tconvs produce IL‐2 in response to self‐peptide‐MHC‐II complexes and that Tconvs possessing more highly self‐reactive TCRs express more IL‐2 at baseline. Furthermore, selective disruption of TCR signaling in Tconvs led to a trend toward decreased expression of IL‐2 and attenuated their ability to maintain Treg numbers. These data suggest that in order to maintain an adequate Treg:Tconv ratio, Tregs are continuously indexed to self‐peptide‐MHC‐II‐induced TCR signaling of Tconvs. These results have implications in attempts to modulate immune tolerance, as Treg numbers adjust to the self‐reactivity, and ultimately IL‐2 production by the T cells around them.