bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Acid‐Catalyzed Cascade Rearrangement of 4‐Acetoxy‐9‐furylnaphtho[2,3‐b]furans.
Authors: Fin'ko Alexander V. , Babikov Valery O. , Pilipenko Arkady S. , Abaev Vladimir T. , Trushkov Igor V. , Butin Alexander V.
Published: March 2014

In contrast to the acid‐catalyzed cascade rearrangement of 4‐acetoxy‐9‐furylnaphtho[2,3‐b]furans, 4‐aminonaphtho[2,3‐b]furans fail to undergo an analogous recyclization into benzo[g]furo[2,3‐e]indoles.
ChemInform Abstract: Directed Metalation Cascade to Access Highly Functionalized Thieno[2,3‐f]benzofuran and Exploration as Building Blocks for Organic Electronics.
Authors: Liu Shi‐Xia , et al. et al.
Published: March 2014

The synthesis of thienobenzofuran (III) is developed.
ChemInform Abstract: Silver‐Catalyzed Oxidative Coupling/Cyclization of Acrylamides with 1,3‐Dicarbonyl Compounds
Authors: Wang Hua , Guo Li‐Na , Duan Xin‐Hua
Published: March 2014

or ketones leading to a variety of oxindoles
ChemInform Abstract: Synthesis and C2‐Functionalization of Indoles with Allylic Acetates under Rhodium Catalysis.
Authors: Kim Mirim , Park Jihye , Sharma Satyasheel , Han Sangil , Han Sang Hoon , Kwak Jong Hwan , Jung Young Hoon , Kim In Su
Published: March 2014

The rhodium‐catalyzed oxidative annulation of acetanilides (I) with allyl acetate provides access to a variety of N‐acetyl‐2‐methylindoles (III).
ChemInform Abstract: Synthesis, Characterization, and Antiviral Activity of Novel Fluorinated Isatin Derivatives.
Authors: Abbas Samir Y. , Farag Awatef A. , Ammar Yousry A. , Atrees Abeer A. , Mohamed Aly F. , El‐Henawy Ahmed A.
Published: March 2014

Novel isatin derivatives (VIIIb) and (XIIIb) exhibit the highest antiviral activities among all the compounds synthesized.
ChemInform Abstract: Design, Synthesis and QSAR Studies of Dispiroindole Derivatives as New Antiproliferative Agents.
Authors: George Riham F. , Ismail Nasser S. M. , Stawinski Jacek , Girgis Adel S.
Published: March 2014

21 Title compounds of type (IV) and two of type (V) are prepared.
ChemInform Abstract: Consecutive Three‐Component Synthesis of Film Luminescent Indolone Merocyanines with L‐Amino Acid Ester Donors.
Authors: Muschelknautz C. , Mayer B. , Rominger F. , Mueller T. J. J.
Published: March 2014

Prop‐2‐enylidene indolones substituted with L‐amino acid esters [(IV), (V), and (VII)] are synthesized using a cyclocarbopalladation, Sonogashira coupling, and Michael addition sequence.
ChemInform Abstract: Synthesis and Antiproliferative Evaluation of Novel Benzoimidazole‐Contained Oxazole‐Bridged Analogues of Combretastatin A‐4.
Authors: Zhou Jie , Jin Jing , Zhang Yi , Yin Yuwen , Chen Xiaoguang , Xu Bailing
Published: March 2014

18 Title compounds are prepared and evaluated for antiproliferative activities against five human cancer cell lines.
ChemInform Abstract: A Green Route for the Synthesis of 2‐Substituted Benzoxazole Derivatives Catalyzed by Al3+‐Exchanged K10 Clay.
Authors: Suresh Dhanusu , Dhakshinamoorthy Amarajothi , Pitchumani Kasi
Published: March 2014

A simple and efficient protocol using the title heterogeneous catalyst allows the synthesis of a wide range of benzoxazole and oxazolopyridine derivatives.
ChemInform Abstract: FeCl3·6H2O, a Catalyst for the Diastereoselective Synthesis of cis‐Isoxazolidines from N‐Protected δ‐Hydroxylamino Allylic Acetates.
Authors: Cornil Johan , Guerinot Amandine , Reymond Sebastien , Cossy Janine
Published: March 2014

It is found that FeCl3·6H2O effectively promotes eco‐friendly and diastereoselective access to cis‐3,5‐disubstituted isoxazolidines.
ChemInform Abstract: Isothiourea‐Mediated Asymmetric Michael‐Lactonization of Trifluoromethylenones: A Synthetic and Mechanistic Study.
Authors: Morrill Louis C. , Douglas James , Lebl Tomas , Slawin Alexandra M. Z. , Fox David J. , Smith Andrew D.
Published: March 2014

A cyclic isothiourea is disclosed as catalyst for Michael addition/lactonization of arylacetic acid with (E)‐trifluoromethylenones.
ChemInform Abstract: Antioxidant Effectiveness Generated by One or Two Phenolic Hydroxyl Groups in Coumarin‐Substituted Dihydropyrazoles.
Authors: Xi Gao‐Lei , Liu Zai‐Qun
Published: March 2014

9 Title compounds of type (V) are prepared by a cascade method, and their antioxidant effectiveness depending on the number of phenolic hydroxyl group is studied.
ChemInform Abstract: Cu‐Catalyzed Tandem Reactions of Fluorinated Alkynes with Sulfonyl Azides en Route to 2‐Trifluoromethylquinolines.
Authors: Li Yajun , Zhang Lisi , Zhang Li , Wu Yongming , Gong Yuefa
Published: March 2014

The copper‐catalyzed reaction of alkyne (I) with phosphoryl azide (II) affords the desired phosphoramidate (III) under mild reaction conditions.
ChemInform Abstract: Regioselective Construction of 1,3‐Diazaheterocycle Fused [1,2‐a][1,8]Naphthyridine Derivatives via Cascade Reaction of Quinolines with Heterocyclic Ketene Aminals: A Joint Experimental—Computational Approach
Authors: Zhang Yi‐Chuan , Liu Zhi‐Cheng , Yang Rui , Zhang Ji‐Hong , Yan Sheng‐Jiao , Lin Jun
Published: March 2014

25 examples
ChemInform Abstract: Palladium‐Catalyzed Asymmetric Hydrogenation of Fluorinated Quinazolinones.
Authors: Duan Ying , Zhu Xiao‐Yan , Ma Jun‐An , Zhou Yong‐Gui
Published: March 2014

An efficient method for the asymmetric hydrogenation of fluorinated quinazolines (I) to chiral fluorinated dihydroquinazolines is developed using a Pd‐SynPhos complex as catalyst.
ChemInform Abstract: 6(7)‐Acylperimidines Nitration and Methods of peri‐Anellation on This Base.
Authors: Aksenov A. V. , Aksenov N. A. , Lyakhovnenko A. S. , Smirnov A. N. , Levina I. I. , Aksenova I. V.
Published: March 2014

Nitration of acylperimidines (I) using NaNO2 in formic acid gives predominantly the 6(7)‐nitro‐derivatives (II), which can be smoothly transformed into tetraazapyrenes (IV) via a Schmidt Reaction, or triazacyclopentaphenalenes (V) via simple Zn‐reduction.
ChemInform Abstract: Condensation of 5‐Amino‐4‐arylpyrazoles with Itaconic Acid and Maleic Anhydride.
Authors: Filimonov S. I. , Korsakov M. K. , Chirkova Zh. V. , Abramov I. G. , Stashina G. A. , Firgang S. I. , Kovygin Yu. A. , Shikhaliev Kh. S.
Published: March 2014

Substituted tetrahydropyrazolo[1,5‐a]pyrimidines (III) are obtained in the condensation reaction of pyrazoles (I) with isatonic acid.
ChemInform Abstract: A Simple and Straightforward Approach to Quinoxalines by Iron/Sulfur‐Catalyzed Redox Condensation of o‐Nitroanilines and Phenethylamines.
Authors: Nguyen Thanh Binh , Retailleau Pascal , Al‐Mourabit Ali
Published: March 2014

The proposed reaction mechanism includes a spontaneous formation of catalytically active iron‐sulfur clusters.
ChemInform Abstract: Selective Synthesis of 4,5‐Dihydroimidazo‐ and imidazo[1,5‐a]quinoxalines via Modified Pictet—Spengler Reaction.
Authors: Verma Akhilesh Kumar , Jha Rajeev Ranjan , Sankar V. Kasi , Singh Raj Pal
Published: March 2014

The presence of electron donating alkyl groups in starting material (I) is key to the success of the reaction.
ChemInform Abstract: Transition Metal‐Free One‐Pot Cascade Synthesis of 7‐Oxa‐2‐azatricyclo [7.4.0.02,6]trideca‐1(9),10,12‐trien‐3‐ones from Biomass‐Derived Levulinic Acid under Mild Conditions.
Authors: Jha Amitabh , Naidu Ajaya B. , Abdelkhalik Ashraf M.
Published: March 2014

An efficient tandem C—N, C—O bond formation reaction is developed for the synthesis of title compounds (III), (VI) and related homologues (V).
ChemInform Abstract: Reactions of 3‐Phenyl‐1,2,4‐triazine with Some C‐Nucleophiles.
Authors: Azev Yurii A. , Ermakova Ol'ga S. , Kodess Mikhail I. , Ezhikova Marina A. , Kovalev Igor S. , Bakulev Vasiliy A.
Published: March 2014

The reaction of triazine (I) with C‐nucleophiles (II) and (IV) is reported.
ChemInform Abstract: Recyclable Gallium(III) Triflate‐Catalyzed [4 + 3] Cycloaddition for Synthesis of 2,4‐Disubstituted‐3H‐benzo[b][1,4]diazepines.
Authors: Huang Shi‐Gang , Mao Hai‐Feng , Zhou Shao‐Fang , Zou Jian‐Ping , Zhang Wei
Published: March 2014

The Ga(OTf)3‐catalyzed cyclocondensation of o‐phenylenediamines with internal aroyl phenyl alkynes is developed resulting in generally good yields of benzodiazepines.
ChemInform Abstract: Calcium‐Mediated Hydrophosphorylation of Organic Isocyanates with Diphenylphosphane Oxide.
Authors: Haerling Stephan , Greiser Julia , Al‐Shboul Tareq M. A. , Goerls Helmar , Krieck Sven , Westerhausen Matthias
Published: March 2014

The reaction of diphenylphosphane oxide (I) with isocyanates (II) and isothiocyanates (IV) in the presence of a calcium catalyst leads to desired formamides (III) and thioformamides (V), respectively.
ChemInform Abstract: Ruthenium‐Catalyzed C—H Activation/Cyclization for the Synthesis of Phosphaisocoumarins.
Authors: Park Youngchul , Jeon Incheol , Shin Seohyun , Min Jiae , Lee Phil Ho
Published: March 2014

The Ru‐catalyzed oxidative coupling of phosphonic acid monoesters or phosphinic acids with alkynes provides convenient approach to a number of phosphaisocoumarins which are of biological interest.
ChemInform Abstract: Antiinflammatory Constituents from the Fruits of Vitex rotundifolia
Authors: Hwang Bang Yeon , et al. et al.
Published: March 2014

isolation, structure elucidation and inhibitory activity on LPS‐induced nitric oxide production in RAW264.7 cells of three new diterpenes, vitetrifolin H (I), viterotulin A (IIa), viterotulin B (IIb), two new neolignans, viterolignan A (IIIa), viterolignan B (IIIb), along with nineteen known compounds
ChemInform Abstract: Two New Sesquiterpenoids Including a Sesquiterpenoid Lactam from Curcuma wenyujin.
Authors: Qiu Guanguan , Yan Pengcheng , Shao Weiwei , Zhou Jie , Lin Weiwei , Fang Lianglian , Zhao Xiaowei , Dong Jianyong
Published: March 2014

Two new sesquiterpenoids (I) and (II) are isolated together with five known compounds.
ChemInform Abstract: Aphanamenes A (I) and B (II), Two New Acyclic Diterpene [4 + 2]‐Cycloaddition Adducts from Aphanamixis grandifolia.
Authors: Zhang Hong‐Jian , Luo Jun , Shan Si‐Ming , Wang Xiao‐Bing , Luo Jian‐Guang , Yang Ming‐Hua , Kong Ling‐Yi
Published: March 2014

The title compounds show significant inhibition on NO production on LPS‐activated RAW264.7 cells.
ChemInform Abstract: Synthesis of α‐Alkenyl‐α‐amino Esters via Addition of Potassium Alkenyltrifluoroborate Salts to Imine in the Presence of Yb(OTf)3.
Authors: Stefani Helio A. , Khan Amna N. , Manarin Flavia , Vendramini Pedro H. , Eberlin Marcos N.
Published: March 2014

N‐Aryl‐substituted α‐imino esters and various alkenyltrifluoroborates are found to undergo Lewis‐acid‐catalyzed C‐alkenylation reaction to give varying yields of α‐alkyl‐α‐amino esters.
ChemInform Abstract: Synthesis and Characterization of Isothiobiurets of N‐Glucosylated Compounds and Their Antimicrobial Activities.
Authors: Sarap Ashish G. , Deshmukh Shirish P.
Published: March 2014

Seven glucopyranosyl isothiobiurets are synthesized and evaluated for their antimicrobial activities.
ChemInform Abstract: Antiallergic Flavones from Arthraxon hispidus.
Authors: Quan Gui‐Hua , Chae Hee‐Sung , Song Hyuk Hwan , Ahn Kyoung‐Seop , Lee Hyeong‐Kyu , Kim Young‐Ho , Oh Sei‐Ryang , Chin Young‐Won
Published: March 2014

Six new flavones (I)—(III) are isolated together with nine known compounds.
ChemInform Abstract: New Leishmanicidal Stilbenes from a Peruvian Folk Medicine, Lonchocarpus nicou.
Authors: Fuchino Hiroyuki , et al. et al.
Published: March 2014

Two new stilbenes (Ia) and (II) are isolated together with five known stilbenes and rotenoids.
ChemInform Abstract: Perspective on Engineering Transition‐Metal Oxides
Authors: Goodenough John B.
Published: March 2014

Review: from a theoretical point of view; 40 refs.
ChemInform Abstract: Heterostructured Approaches to Efficient Thermoelectric Materials
Authors: Zhang Yichi , Stucky Galen D.
Published: March 2014

Review: 92 refs.
ChemInform Abstract: Mechanistic Approaches to Molecular Catalysts for Water Oxidation
Authors: Kikuchi Takashi , Tanaka Koji
Published: March 2014

Review: 107 refs.
ChemInform Abstract: Oxidative Catalytic Coupling Reactions: Selective Formation of C—C and C—X Bonds Using Radical Processes
Authors: Liu Qiang , Jackstell Ralf , Beller Matthias
Published: March 2014

Review: 13 refs.
ChemInform Abstract: New Perspectives on Classical Heterocyclic Reactions Involving Pyrrole Derivatives
Authors: Yurovskaya M. A. , Alekseyev R. S.
Published: March 2014

Review: 128 refs.
ChemInform Abstract: Reactivity of Alkyne‐Substituted Transition Metal Clusters: An Overview
Authors: Sanchez‐Cabrera Gloria , Zuno‐Cruz Francisco J. , Rosales‐Hoz Maria J.
Published: March 2014

Review: 104 refs.
ChemInform Abstract: Palladium‐Catalyzed Double Cross‐Coupling Reactions of Organodimetallic Reagents Leading to Polycyclic Aromatic Hydrocarbons
Authors: Shimizu Masaki , Hiyama Tamejiro
Published: March 2014

Review: 144 refs.
ChemInform Abstract: Synthesis of Heterocycles via Nucleophilic Substitution of Hydrogen in Nitroarenes
Authors: Makosza Mieczyslaw , Wojciechowski Krzysztof
Published: March 2014

Review: 107 refs.
ChemInform Abstract: Out‐of‐Equilibrium Dynamics in Superspin Glass State of Strongly Interacting Magnetic Nanoparticle Assemblies
Authors: Nakamae Sawako
Published: March 2014

Review: 79 refs.
ChemInform Abstract: Targeted Application of Bridged Fragments in the Design of Physiologically Active Compounds
Authors: Zefirova O. N. , Zefirov N. S.
Published: March 2014

Review: 65 refs.
ChemInform Abstract: Synthetic Analogues of the Active Sites of Nitrogenase and [NiFe] Hydrogenase
Authors: Ohki Yasuhiro
Published: March 2014

Review: 70 refs.
ChemInform Abstract: A Perspective on Oxygenated Species in the Refinery Integration of Pyrolysis Oil
Authors: Nimlos Mark R. , et al. et al.
Published: March 2014

Review: 212 refs.
ChemInform Abstract: Recent Advances in Heterogeneous Catalysts for Bio‐Oil Upgrading via “ex situ Catalytic Fast Pyrolysis”: Catalyst Development Through the Study of Model Compounds
Authors: Ruddy Daniel A. , Schaidle Joshua A. , Ferrell Jack R. III , Wang Jun , Moens Luc , Hensley Jesse E.
Published: March 2014

Review: 282 refs.
ChemInform Abstract: Atomic‐Level Modeling of Organic Electrolytes in Lithium‐Ion Batteries
Authors: Ferguson Glen , Curtiss Larry A.
Published: March 2014

Review: 107 refs.
ChemInform Abstract: Organic Spin Valves
Authors: Steil Sabine , Mathias Stefan , Cinchetti Mirko , Aeschlimann Martin
Published: March 2014

Review: 10 refs.
ChemInform Abstract: Energy Loss Structures in HAXPES Spectra of Solids
Authors: Kover Laszlo
Published: March 2014

Review: 49 refs.
ChemInform Abstract: Monoisotopic Varieties of Silicon and Germanium with a High Chemical and Isotopic Purity
Authors: Churbanov M. F. , Gusev A. V. , Bulanov A. D. , Potapov A. M.
Published: March 2014

Review: 25 refs.
ChemInform Abstract: Advances in the Environmental Transmission Electron Microscope (ETEM) for Nanoscale in situ Studies of Gas—Solid Interactions
Authors: Jinschek J. R.
Published: March 2014

Review: 102 refs.
Profiling Olive Oil Mill Wastewater by Resin Fractionation: Effect of Acid Cracking, Coagulation, Electrocoagulation, and Fenton's Reagent
Authors: Gursoy‐Haksevenler Betul Hande , Arslan‐Alaton Idil
Published: March 2014

The organic matter content in original and chemically treated olive oil mill wastewater obtained from a three phase extraction plant was profiled by a resin fractionation procedure to evaluate changes in its characteristics after acid cracking as well as chemical treatment by FeCl3 coagulation, electrocoagulation with stainless steel electrodes, and an advanced oxidation processes (Fenton's reagent). For this purpose, untreated, acid‐cracked, and chemically treated wastewater samples were fractionated into hydrophobic and hydrophilic (acid–base–neutral) structures using XAD‐8, XAD‐4, AG‐MP‐50, and Duolite A‐7 resins. Structural distribution analysis of the untreated samples indicated that hydrophobic structures were the major (75–95%) components of the wastewater's organic matter content. For the total phenols parameter, a significant fraction (56%) appeared to be hydrophobic neutral coinciding with the acute toxicity of the olive oil mill wastewater. A significant amount of oil and grease as well as particulate organic matter could be removed by subjecting the original wastewater sample to acid cracking. FeCl3 coagulation appeared to be effective in the removal of hydrophobic fractions whereas electrocoagulation and the Fenton's reagent were also effective in the removal of hydrophilic organic matter. After chemical treatment of the olive oil mill wastewater, a significant shift in its structural distribution pattern was observed from mainly hydrophobic to more hydrophilic fractions.
Chromosomal instability portends superior response of rectal adenocarcinoma to chemoradiation therapy
Authors: Zaki Bassem I. , Suriawinata Arief A. , Eastman Alan R. , Garner Kristen M. , Bakhoum Samuel F.
Published: March 2014

BACKGROUND

Persistent chromosome segregation errors represent a conspicuous feature of human neoplasms. It is widely accepted that this chromosomal instability is associated with poor prognosis; however, its effect on therapeutic response is a matter of conjecture.

METHODS

Here, the role of chromosome segregation errors in the response of patients with rectal adenocarcinoma to chemoradiation therapy (CRT) was examined. Pretreatment samples from 62 patients were surveyed for evidence of chromosome mis‐segregation and mis‐segregation frequency was correlated to the pathological response to CRT as determined by the tumor regression grade after surgical resection of irradiated tumors.

RESULTS

Surprisingly, it was found that errors in chromosome segregation predicted enhanced pathological response of rectal adenocarcinoma to CRT (odds ratio, 3.9; P = .02). Furthermore, tumor response inversely correlated with the frequency of cells that exhibited segregation errors during anaphase (correlation coefficient, 0.94; P < .05). Strikingly, elevated chromosome mis‐segregation combined with decreased levels of the DNA damage repair protein Mre11 portended a markedly enhanced response (odds ratio, 54.0; P = .008).

CONCLUSIONS

The results of the current study demonstrate that chromosomal instability is a favorable predictor of response to CRT in patients with locally invasive rectal adenocarcinoma. Therefore, the authors propose that downstream structural damage to chromosomes resulting from segregation errors potentiates the effect of DNA‐damaging therapies and synergizes with deficiencies in the DNA repair machinery. This work identifies a novel mechanistic marker that foretells treatment response to CRT and suggests that concomitant targeting of whole‐chromosome segregation and DNA repair may constitute an effective therapeutic strategy. Cancer 2014;120:1733–1742. © 2014 American Cancer Society.
A General Existence Theorem for Embedded Minimal Surfaces with Free Boundary
Authors: Li Martin Man‐chun
Published: March 2014

In this paper, we prove a general existence theorem for properly embedded minimal surfaces with free boundary in any compact Riemannian 3‐manifold M with boundary ∂M. These minimal surfaces are either disjoint from ∂M or meet ∂M orthogonally. The main feature of our result is that there is no assumptions on the curvature of M or convexity of ∂M. We prove the boundary regularity of the minimal surfaces at their free boundaries. Furthermore, we define a topological invariant, the filling genus, for compact 3‐manifolds with boundary and show that we can bound the genus of the minimal surface constructed above in terms of the filling genus of the ambient manifold M. Our proof employs a variant of the min‐max construction used by Colding and De Lellis on closed embedded minimal surfaces, which were first developed by Almgren and Pitts.© 2014 Wiley Periodicals, Inc.
Parameterizable benchmarking framework for designing a MapReduce performance model
Authors: Zhang Zhuoyao , Cherkasova Ludmila , Loo Boon Thau
Published: March 2014

In MapReduce environments, many applications have to achieve different performance goals for producing time relevant results. One of typical user questions is how to estimate the completion time of a MapReduce program as a function of varying input dataset sizes and given cluster resources. In this work, we offer a novel performance evaluation framework for answering this question. We analyze the MapReduce processing pipeline and utilize the fact that the execution of map (reduce) tasks consists of specific, well‐defined data processing phases. Only map and reduce functions are custom, and their executions are user‐defined for different MapReduce jobs. The executions of the remaining phases are generic (i.e., defined by the MapReduce framework code) and depend on the amount of data processed by the phase and the performance of the underlying Hadoop cluster. First, we design a set of parameterizable microbenchmarks to profile the execution of generic phases and to derive a platform performance model of a given Hadoop cluster. Then, using the job past executions, we summarize job's properties and performance of its custom map/reduce functions in a compact job profile. Finally, by combining the knowledge of the job profile and the derived platform performance model, we introduce a MapReduce performance model that estimates the program completion time for processing a new dataset. The proposed benchmarking approach derives an accurate performance model of Hadoop's generic execution phases (once), and then, this model is reused for predicting the performance of different applications. The evaluation study justifies our approach and the proposed framework: We use a diverse suite of 12 MapReduce applications to validate the proposed model. The predicted completion times for most experiments are within 10% of the measured ones (with a worst case resulting in 17% of error) on our 66‐node Hadoop cluster. Copyright © 2014 John Wiley & Sons, Ltd
An investigation of the effects of hard and soft errors on graphics processing unit‐accelerated molecular dynamics simulations
Authors: Betz Robin M. , DeBardeleben Nathan A. , Walker Ross C.
Published: March 2014

Molecular dynamics (MD) simulations rely on the accurate evaluation and integration of Newton's equations of motion to propagate the positions of atoms in proteins during a simulation. As such, one can expect them to be sensitive to any form of numerical error that may occur during a simulation. Increasingly graphics processing units (GPUs) are being used to accelerate MD simulations. Current GPU architectures designed for high performance computing applications support error‐correcting codes (ECC) that detect and correct single bit‐flip soft error events in GPU memory; however, this error checking carries a penalty in terms of simulation speed. ECC is also a major distinguishing feature between high performance computing NVIDIA Tesla cards and the considerably more cost‐effective NVIDIA GeForce gaming cards. An argument often put forward for not using GeForce cards is that the results are unreliable because of the lack of ECC. In an initial attempt to quantify these concerns, an investigation of the reproducibility of GPU‐accelerated MD simulations using the AMBER software was conducted on the XSEDE supercomputer Keeneland, a cluster at Los Alamos National Laboratory, and a cluster at the San Diego Supercomputer Center. While the data collected are insufficient to make solid conclusions and more extensive testing is needed to provide quantitative statistics, the absence of ECC events and lack of any silent errors in all the simulations conducted to date suggest that these errors are exceedingly rare and as such the time and memory penalty of ECC may outweigh the utility of error checking functionality. However, a considerable amount of error originating from defective hardware was observed, which suggests that rigorous acceptance testing should be performed on new GPU‐based systems by repeatedly running reproducible yet realistic calculations.
Control of Charge Dynamics through a Charge‐Separation Interface for All‐Solid Perovskite‐Sensitized Solar Cells
Authors: Ogomi Yuhei , Kukihara Kenji , Qing Shen , Toyoda Taro , Yoshino Kenji , Pandey Shyam , Momose Hisayo , Hayase Shuzi
Published: March 2014

The relationship between the structure of the charge‐separation interface and the photovoltaic performance of all‐solid dye‐sensitized solar cells is reported. This cell is composed of porous a TiO2/perovskite (CH3NH3PbIxCl3−x)/p‐type organic conductor. The porous titania layer was passivated with Al2O3 or Y2O3 to remove surface traps of the porous titania layer. Both passivations were effective in increasing the efficiency of the solar cell. Especially, the effect of Y2O3 passivation was remarkable. After passivation, the efficiency increased from 6.59 to 7.5 %. The increase in the efficiency was discussed in terms of the electron lifetime in TiO2, the thermally stimulated current, the measurement of the microwave refractive carrier lifetime, and transition absorption spectroscopy. It was proven that surface passivation resulted in retardation of charge recombination between the electrons in the porous titania layers and the holes in the p‐type organic conductors.
New Dimethyl(norbornadienyl)platinum(II) Precursors for Platinum MOCVD
Authors: Maudez William , Roy Christelle , Tran Phong Dinh , Thurier Cyril , Karmous Farah , Doppelt Pascal
Published: March 2014

The synthesis, characterization, and application as CVD precursors of several new dimethyl(norbornadienyl)platinum(II) compounds are reported. Initially, synthesis is performed in a two‐step procedure from K2PtCl4 with (Rnbd)PtI2 as an intermediate, but a convenient “one‐pot” procedure is developed that allows the formation of platinum(II) precursors with good yield and purity. Novel platinum compounds are; (nbd)PtMe2 (1), (7‐Me‐nbd)PtMe2 (2), (7‐Et‐nbd)PtMe2 (3), (7‐iPr‐nbd)PtMe2 (4), and (2‐Et‐nbd)PtMe2 (5). Compounds 1 − 4 are solids while 5 is liquid at room temperature. Fine‐tuning of the organic environment provides some control of the thermal stability and volatility. Liquid‐delivery CVD is reported using 1 and 5 Pt precursor solutions. Excellent results are obtained in the presence of oxygen as a co‐reactant. The as‐deposited Pt films are analyzed in terms of morphology, crystalline structure, and composition.
Determination of canopy‐shadow‐affected area in sparse steppes and its effects on evaporation and evapotranspiration
Authors: Feng Youcan , Qiu Guo Yu , Zhang Qingtao
Published: March 2014

Soil evaporation (E) and plant transpiration (T) dominate the water budget of semi‐arid sparse steppe, and they are crucial for vegetation restoration, as shadows cast by sparse vegetation may shade the sunlight and thereby reduce near‐ground radiation – which could affect biotic process of plants and land‐atmosphere flux transport dominated by E and evapotranspiration (ET). Currently, there are few studies on the effects of shadow on E and ET in semi‐arid sparse steppe because of the lack of appropriate research tools. However, high‐resolution thermal cameras provide an opportunity to meet this challenge. This study aims to detect the shadow‐affected soil area in sparse steppe and determine its effects on E and ET by using the thermal imaging with classification algorithm and the extended three‐temperature model (3T model) with the introduction of a new calibration coefficient, which considers the influence of shadows on E and ET. A series of field experiments were carried out in a semi‐arid restored grassland in Taipus Banner, Inner Mongolia, China, in summer 2008. The Bowen ratio method was used to validate the ET estimates. Results showed that the importance of shading effects on E and ET tends to increase along with the plant coverage as the restoration prolongs. And shadow‐affected soil zone around the plant could be larger than plant area. And ET and E may be 4–28% and 10–66% overestimated if the effect of shadow is not considered. Implication of this study on other ET estimation methods in remote sensing is further discussed. Copyright © 2014 John Wiley & Sons, Ltd.
Exotic 3D Hierarchical ZnO–Ag Hybrids as Recyclable Surface‐Enhanced Raman Scattering Substrates for Multifold Organic Pollutant Detection
Authors: He Xuan , Wang Hui , Zhang Qi , Li Zhongbo , Wang Xiaochuan
Published: March 2014

Recyclable and sensitive surface‐enhanced Raman scattering (SERS) sensors for the detection of a variety of organic pollutants were fabricated from 3D hierarchical ZnO–Ag hybrids, which were synthesized by an efficient and green approach. The ZnO nanostructure could be controlled by applying a facile organic‐chemical‐assisted hydrothermal method. The obtained structures were then decorated with different‐sized Ag nanoparticles (Ag NPs) on their side surfaces and top ends to construct 3D hierarchical ZnO–Ag nanocomposites for use as multifunctional SERS substrates. The obtained SERS sensor manifested a high sensitivity to rhodamine 6G (R6G) at a low concentration of 1 × 10–13 M and a detection limit as low as 5 × 10–9 M for the organic herbicide 4‐chlorophenol (4‐CP). Moreover, because of the good, stable photocatalytic properties of this exotic 3D hierarchical structure, the ZnO–Ag hybrids could self‐clean under UV irradiation; this allowed repeatable SERS detection of many organic pollutants over more than three cycles with tolerable intensity attenuation. Finally, the unique repeatable detection of the organic dye R6G and the persistent organic pollutant (POP) 2,4‐dichlorophenoxyacetic acid (2,4‐D) demonstrates a new route to eliminate the single‐use problem of traditional SERS substrates and suggests promising applications of such materials as real‐time online sensors for organic pollutant detection.
Highly Diastereoselective Reaction of α‐Diazoesters with Aryl Alcohols and Isatin Imines: Rapid Access to Oxindole‐Derived α‐Alkoxy‐β‐amino Acid Derivatives with Two Adjacent Quaternary Carbon Centers
Authors: Rajasekaran Tamilselvan , Karthik Govindaraju , Sridhar B. , Kumar S. Kiran , Reddy Basi V. Subba
Published: March 2014

A stereoselective synthesis of oxindole‐derived α‐alkoxy‐β‐amino acid derivatives was achieved in high yield with excellent diastereoselectivity through the three‐component reaction of methyl 2‐diazoarylacetate, aryl alcohols, and isatin‐derived ketimines by using Rh2(OAc)4 (1 mol‐%) as the catalyst. The products are very useful for the synthesis of analogues of the gastrin receptor antagonist AG‐041R, spirooxindolyl β‐lactams, the oxindole‐derived side chain of Taxol, and natural product cytoxazone and aminopyrrolo[2,3‐b]indoline derivatives.
Upregulation of the Saccharomyces cerevisiae efflux pump Tpo1 rescues an Imp2 transcription factor‐deficient mutant from bleomycin toxicity
Authors: Berra Siham , Ayachi Sami , Ramotar Dindial
Published: March 2014

Yeast mutants lacking the transcriptional co‐activator Imp2 are hypersensitive to the anticancer drug bleomycin, although the gene targets involved in this process remain elusive. A search for multicopy suppressors that rescue the imp2Δ mutant from bleomycin toxicity revealed the transcriptional activator Yap1, which can turn on many target genes such as transporters involved in regulating drug resistance. We show that YAP1 overexpression stimulated the expression of the TPO1 gene encoding a polyamine efflux pump, and that Yap1 failed to rescue the imp2Δ mutant from bleomycin toxicity in the absence of the TPO1 gene. Moreover, TPO1 overexpression, and not the related transporter gene QDR3, conferred upon the tpo1Δ imp2Δ double mutant parental resistance to bleomycin. We conclude that YAP1 overexpression rescues the imp2Δ mutant from bleomycin toxicity by triggering Tpo1 expression to expel the drug. Our data provide the first evidence that bleomycin could be a substrate for the Tpo1 efflux pump. Environ. Mol. Mutagen. 55:518–524, 2014. © 2014 Wiley Periodicals, Inc.
Time‐dependent enhancement of hippocampus‐dependent memory after treatment with memantine: Implications for enhanced hippocampal adult neurogenesis
Authors: Ishikawa Rie , Kim Ryang , Namba Takashi , Kohsaka Shinichi , Uchino Shigeo , Kida Satoshi
Published: March 2014

Adult hippocampal neurogenesis has been suggested to play modulatory roles in learning and memory. Importantly, previous studies have shown that newborn neurons in the adult hippocampus are integrated into the dentate gyrus circuit and are recruited more efficiently into the hippocampal memory trace of mice when they become 3 weeks old. Interestingly, a single high‐dose treatment with the N‐methyl‐d‐aspartate receptor antagonist memantine (MEM) has been shown to increase hippocampal neurogenesis dramatically by promoting cell proliferation. In the present study, to understand the impact of increased adult neurogenesis on memory performance, we examined the effects of a single treatment of MEM on hippocampus‐dependent memory in mice. Interestingly, mice treated with MEM showed an improvement of hippocampus‐dependent spatial and social recognition memories when they were trained and tested at 3–6 weeks, but not at 3 days or 4 months, after treatment with MEM. Importantly, we observed a significant positive correlation between the scores for spatial memory (probe trial in the Morris water maze task) and the number of young mature neurons (3 weeks old) in MEM‐treated mice, but not saline‐treated mice. We also observed that the young mature neurons generated by treatment with MEM were recruited into the trace of spatial memory similarly to those generated through endogenous neurogenesis. Taken together, our observations suggest that treatment with MEM temporally improves hippocampus‐dependent memory formation and that the newborn neurons increased by treatment with MEM contribute to this improvement when they become 3 weeks old. © 2014 The Authors. Hippocampus Published by Wiley Periodicals, Inc.
Assessment of future groundwater recharge in semi‐arid regions under climate change scenarios (Serral‐Salinas aquifer, SE Spain). Could increased rainfall variability increase the recharge rate?
Authors: Pulido‐Velazquez David , García‐Aróstegui José Luis , Molina Jose‐Luis , Pulido‐Velazquez Manuel
Published: March 2014

The projected impact of climate change on groundwater recharge is a challenge in hydrogeological research because substantial doubts still remain, particularly in arid and semi‐arid zones. We present a methodology to generate future groundwater recharge scenarios using available information about regional climate change projections developed in European Projects. It involves an analysis of regional climate model (RCM) simulations and a proposal for ensemble models to assess the impacts of climate change. Future rainfall and temperature series are generated by modifying the mean and standard deviation of the historical series in accordance with estimates of their change provoked by climate change. Future recharge series will be obtained by simulating these new series within a continuous balance model of the aquifer. The proposed method is applied to the Serral‐Salinas aquifer, located in a semi‐arid zone of south‐east Spain. The results show important differences depending on the RCM used. Differences are also observed between the series generated by imposing only the changes in means or also in standard deviations. An increase in rainfall variability, as expected under future scenarios, could increase recharge rates for a given mean rainfall because the number of extreme events increases. For some RCMs, the simulations predict total recharge increases over the historical values, even though climate change would produce a reduction in the mean rainfall and an increased mean temperature. A method based on a multi‐objective analysis is proposed to provide ensemble predictions that give more value to the information obtained from the best calibrated models. The ensemble of predictions estimates a reduction in mean annual recharge of 14% for scenario A2 and 58% for scenario A1B. Lower values of future recharge are obtained if only the change in the mean is imposed. Copyright © 2014 John Wiley & Sons, Ltd.
Changes in mammographic density over time in breast cancer cases and women at high risk for breast cancer
Authors: Work Meghan E. , Reimers Laura L. , Quante Anne S. , Crew Katherine D. , Whiffen Amy , Terry Mary Beth
Published: March 2014

High mammographic breast density is one of the strongest intermediate markers of breast cancer risk, and decreases in density over time have been associated with decreases in breast cancer risk. Using repeated measures of mammographic density in a cohort of high‐risk women, the Women at Risk (WAR) cohort at Columbia University Medical Center (N = 2670), we examined whether changes in prediagnostic mammographic density differed among 85 prospectively‐ascertained breast cancer cases and 85 age‐matched controls, using a nested case–control design. Median age at first mammogram was 51 years (range, 29–77 years), with a median of 4 years between first and second prediagnostic mammogram (range, 1–15 years). Using linear regression with change in percent density as the outcome, we found that in women who did not go on to be diagnosed with breast cancer, change in percent density decreased as time between first and second mammogram increased (β = −1.62% per year, p = 0.004). However, in women who did go on to be diagnosed with breast cancer, there was no overall change in percent density associated with time between first and second mammogram (β = 0.29% per year, p = 0.61); the change over time was statistically significantly different between cases versus controls (p <0.009). If replicated in larger cohorts, these results suggest that within‐individual changes in mammographic density as measured by percent density may be a useful biomarker of breast cancer risk.
Interaction of micron and nano‐sized particles with cells of the dura mater
Authors: Papageorgiou Iraklis , Marsh Rainy , Tipper Joanne L. , Hall Richard M. , Fisher John , Ingham Eileen
Published: March 2014

Intervertebral total disc replacements (TDR) are used in the treatment of degenerative spinal disc disease. There are, however, concerns that they may be subject to long‐term failure due to wear. The adverse effects of TDR wear have the potential to manifest in the dura mater and surrounding tissues. The aim of this study was to investigate the physiological structure of the dura mater, isolate the resident dural epithelial and stromal cells and analyse the capacity of these cells to internalise model polymer particles. The porcine dura mater was a collagen‐rich structure encompassing regularly arranged fibroblastic cells within an outermost epithelial cell layer. The isolated dural epithelial cells had endothelial cell characteristics (positive for von Willebrand factor, CD31, E‐cadherin and desmoplakin) and barrier functionality whereas the fibroblastic cells were positive for collagen I and III, tenascin and actin. The capacity of the dural cells to take up model particles was dependent on particle size. Nanometer sized particles readily penetrated both types of cells. However, dural fibroblasts engulfed micron‐sized particles at a much higher rate than dural epithelial cells. The study suggested that dural epithelial cells may offer some barrier to the penetration of micron‐sized particles but not nanometer sized particles. © 2014 The Authors. Journal of Biomedical Materials Research Part B: Applied Biomaterials Published by Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 102B: 1496–1505, 2014.
Dose‐response relationship between depressive symptoms and hospital readmission
Authors: Cancino Ramon S. , Culpepper Larry , Sadikova Ekaterina , Martin Jessica , Jack Brian W. , Mitchell Suzanne E.
Published: March 2014

BACKGROUND

Evidence suggests depression increases hospital readmission risk.

OBJECTIVE

Determine whether depressive symptoms are associated with unplanned readmission within 30 days of discharge of general medical patients.

DESIGN

Secondary analysis of the Project Re‐Engineered Discharge (RED) randomized controlled trials.

SETTING

Urban academic safety‐net hospital.

PATIENTS

A total of 1418 hospitalized adult English‐speaking patients.

INTERVENTION

The 9‐Item Patient Health Questionnaire (PHQ‐9) was used to screen patients for depressive symptoms.

MEASUREMENTS

Hospital readmission within 30 days of discharge. Poisson regression was used to control for confounding variables.

RESULTS

There were 225 (16%) patients who screened positive for mild depressive symptoms (5 ≤PHQ‐9 ≤9) and 336 (24%) for moderate or severe depressive symptoms (PHQ‐9 ≥10). After controlling for confounders, a higher rate of readmission was observed in subjects with mild depressive symptoms compared to subjects with PHQ‐9 <5, incidence rate ratio (IRR) 1.49 (95% confidence interval [CI]: 1.11‐2.00). The adjusted IRR of readmission for those with moderate‐to‐severe symptoms was 1.96 (95% CI: 1.51‐2.49) compared to those with no depression.

CONCLUSIONS

Screening positive for mild and moderate‐to‐severe depressive symptoms during a hospitalization on a general medical service is associated with an increased dose‐dependent readmission rate within 30 days of discharge in an urban, academic, safety‐net hospital. Further research is needed to determine whether treatments targeting the reduction of depressive symptoms reduce the risk of readmission. Journal of Hospital Medicine 2014;9:358–364. © 2014 Society of Hospital Medicine
October circulation precursors of the wintertime Arctic Oscillation
Authors: Kryjov Vladimir N.
Published: March 2014

Investigation into atmospheric processes preceding winters of different Arctic Oscillation index (AOI) polarity, based on empirical data analysis, has revealed highly statistically significant relationships between the wintertime AOI and preceding October circulation. The wintertime AOI strongly covaries with an October circulation anomaly barotropically spanning the depth of the troposphere over the Taymyr Peninsula (Taymyr circulation anomaly, TCA), with the anticyclonic (cyclonic) TCA preceding winters of the negative (positive) AOI polarity. The October TCA affects the wintertime AOI polarity mainly via its impact on air temperature over the Arctic and North‐East Asia. Anticyclonic (cyclonic) TCA leads to the positive (negative) temperature anomaly over the Arctic and a corresponding increase (decrease) of geopotential heights, and to the negative (positive) temperature anomaly over North‐East Asia and so to enhancement (weakening) of the climatological trough associated with long planetary waves and corresponding enhancement (weakening) of the upward wave activity flux. To characterize temporal variability of the TCA, a Taymyr circulation index (TCI) is suggested. Correlation coefficient between the (inverted) wintertime AOI and the October TCI is 0.58 for the 1958–2012 period, with correlations being stable in time. The anticyclonic (cyclonic) TCA is associated with smaller (larger) number of cyclones coming to the region of the eastern Barents Sea–Taymyr Peninsula–Laptev Sea. Statistical relationships between the October TCA, wintertime AOI and September/October sea surface temperature in the northern Barents Sea are shown.
Effect of artificial aging conditions on corrosion resistance of a TiNi alloy
Authors: Ionita D. , Caposi M. , Demetrescu I. , Ciuca S. , Gherghescu I. A.
Published: March 2014

The present paper is focused on three different aging treatment of a TiNi alloy in order to enhance corrosion resistance in oral cavity environment. The best corrosion resistance in artificial saliva after aging treatment was found in the case of sample which was heat treated at 700 °C/20 min/water cooled, followed by aging at 400 °C/1.5 h/water cooled. Subsequent to such a heat treatment, the EDX surface analysis indicated an increase of Ti content of the matrix. This effect is in connection with stable and metastable precipitates which appear during the aging. Also, based on the greater affinity to oxygen of Ti compared to Ni, a uniform Ti based oxide layer is predominant explaining the better electrochemical stability. The obtained precipitates morphology is also an important factor in the corrosion behavior.
Microstructure and bio‐corrosion behavior of Mg–Zn and Mg–Zn–Ca alloys for biomedical applications
Authors: Bakhsheshi‐Rad H. R. , Hamzah E. , Fereidouni‐Lotfabadi A. , Daroonparvar M. , Yajid M. A. M. , Mezbahul‐Islam M. , Kasiri‐Asgarani M. , Medraj M.
Published: March 2014

The microstructure and bio‐corrosion behavior of binary Mg–xZn (x = 1.25, 2.5, 4) and ternary Mg–Ca–xZn (x = 1.25, 2.5, 4) alloys have been studied using scanning electron microscopy (SEM), electrochemical, and immersion tests. Microstructure analysis indicated that the binary Mg–Zn alloys are composed of primary α‐Mg matrix and Mg12Zn13 phases, while, ternary Mg–Ca–Zn alloys are composed of α‐Mg, Mg2Ca, and IM1 (Ca3MgxZn15−x) (4.6 ≤ x ≤ 12) phases or α‐Mg, IM1 and IM3 (Ca2Mg5Zn13) phases. Electrochemical results showed that Mg–4Zn alloy has lowest corrosion rate among binary alloys. At constant Ca content of 0.8 wt.%, the addition of Zn up to 1.25 wt.% decreased the corrosion rate, while further addition of Zn increased the corrosion rate of ternary alloys. Immersion tests results demonstrated that the formation of Zn oxide layer in binary Mg–Zn alloy and evolution of eutectic phase (α‐Mg + IM1 + Mg2Ca) significantly retard the bio‐degradation rate of the ternary alloys.
ADEQUATE CR: 13C connectivity mapping in indirect detection mode with composite refocusing
Authors: George Christy , Chandrakumar N.
Published: March 2014

We report a novel rare spin correlation experiment termed ADEQUATE with composite refocusing (CR), which is the 1H‐detected version of 2D INADEQUATE CR. ADEQUATE CR begins with a polarization transfer from protons to the attached carbon, followed by 13C–13C double‐quantum (DQ) preparation. Unlike the ADEQUATE class of experiments, 13C DQ coherence is converted after evolution to single‐quantum single transitions (SQ‐STs) by CR. 13C SQ‐ST is then transferred back to the coupled protons by a coherence order selective reconversion. The present sequence produces partial transition selectivity in the 1H dimension as does 1H Indirect detected 13C Low‐Abundance Single‐transition correlation Spectroscopy (HICLASS), thereby mitigating the reduction in sensitivity enhancement because of the presence of homonuclear proton couplings. However, unlike HICLASS (which is an experiment that involves SQ‐TS evolution), no homonuclear zero quantum mixing is required on the 13C channel in the present experiment. Experimental results are demonstrated on a variety of samples, establishing the efficiency of the proposed method. Copyright © 2014 John Wiley & Sons, Ltd.
Magnetization transfer from inhomogeneously broadened lines: A potential marker for myelin
Authors: Varma Gopal , Duhamel Guillaume , de Bazelaire Cedric , Alsop David C.
Published: March 2014

Purpose

To characterize a new approach to magnetization transfer (MT) imaging with improved specificity for myelinated tissues relative to conventional MT.

Methods

Magnetization transfer preparation sequences were implemented with all radiofrequency power centered on a single frequency and also with power evenly divided between positive and negative frequencies. Dual frequency saturation was achieved both with short, alternating frequency pulses and with sinusoidal modulation of continuous irradiation. Images following preparation were acquired with a single shot fast spin echo sequence. Single and dual frequency preparation should achieve similar saturation of molecules except for those with inhomogenously broadened lines. Inhomogenous MT (IHMT) images were generated by subtraction of dual from single frequency prepared images. IHMT imaging was performed with different power and frequency in the brains of normal volunteers.

Results

The IHMT method demonstrated a greater white/gray matter ratio than conventional MT and virtual elimination of signal in scalp and other unmyelinated tissues. IHMT exceeded 5% of the fully relaxed magnetization in white matter. A broad frequency spectrum and signs of axonal angular dependence at high frequency were observed that are consistent with dipolar broadening.

Conclusion

IHMT shows promise for myelin‐specific imaging. Further study of physical mechanisms and diagnostic sensitivity are merited. Magn Reson Med 73:614–622, 2015. © 2014 Wiley Periodicals, Inc.