bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Gold(I)‐Catalyzed Bis‐Alkynylation Reaction of Aromatic Aldehydes with Alkynylsilanes.
Authors: Rubial Belen , Ballesteros Alfredo , Gonzalez Jose M.
Published: April 2014

The first successful gold(I)‐catalyzed reaction of aryl aldehydes with alkynylsilanes to furnish bis‐alkynylated derivatives is reported.
ChemInform Abstract: Enantioselective Functionalization of Radical Intermediates in Redox Catalysis: Copper‐Catalyzed Asymmetric Oxytrifluoromethylation of Alkenes.
Authors: Zhu Rong , Buchwald Stephen L.
Published: April 2014

The new method delivers enantioenriched CF3‐containing lactones with good functional group compatibility.
ChemInform Abstract: Synthesis and Applications of α‐Trifluoromethylated Alkylboron Compounds.
Authors: Argintaru O. Andreea , Ryu DaWeon , Aron Ioana , Molander Gary A.
Published: April 2014

The reaction of boron compounds with trifluoroethylidene affords bench‐stable trifluoromethylated organoboron compounds for the first time, which can be easily further converted [cf.
ChemInform Abstract: A Robust Ru‐PNNP Catalyst System for the Asymmetric Hydrogenation of α,β‐Unsaturated Ketones to Allylic Alcohol.
Authors: Lu Sheng‐Mei , Gao Qiang , Li Jun , Liu Yan , Li Can
Published: April 2014

A notable advantage of this highly enantioselective hydrogenation process is the use of a water‐ and air‐tolerant catalyst system.
ChemInform Abstract: Simple Catalytic Mechanism for the Direct Coupling of α‐Carbonyls with Functionalized Amines: A One‐Step Synthesis of Plavix.
Authors: Evans Ryan W. , Zbieg Jason R. , Zhu Shaolin , Li Wei , MacMillan David W. C.
Published: April 2014

The synthesis of complex α‐amino carbonyls from a broad range of secondary amines as substrates uses a simple protocol.
ChemInform Abstract: Copper Catalyzed N‐Arylation Between Aryl Halides and Nitriles in Water: An Efficient Tandem Synthesis of Benzanilides.
Authors: Wang Jichao , Yin Xinchi , Wu Jun , Wu Datong , Pan Yuanjiang
Published: April 2014

With assistance of [bmim]PF6, aryl halides and nitriles undergo a hydrolysis/coupling reaction to give benzanilides within short reaction times.
ChemInform Abstract: A 1,3‐Amino Group Migration Route to Form Acrylamidines.
Authors: Chauhan Dinesh Pratapsinh , Varma Sreejith Jayasree , Vijeta Arjun , Banerjee Pallavi , Talukdar Pinaki
Published: April 2014

A novel route for the synthesis of acrylamidines by Cu‐catalyzed addition of tosylazide to 1‐aminopropines and subsequent intramolecular addition of nucleophiles to ketenimines with 1,3‐amino group migration is presented.
ChemInform Abstract: Iodine‐Catalyzed Efficient 2‐Arylsulfanylphenol Formation from Thiols and Cyclohexanones.
Authors: Liao Yunfeng , Jiang Pengcheng , Chen Shanping , Qi Hongrui , Deng Guo‐Jun
Published: April 2014

A simple method is elaborated for the preparation of 2‐arylsulfanylphenol derivatives by oxidative coupling of cyclohexanones with thiols.
ChemInform Abstract: A Copper‐Mediated Tandem Reaction Through Isocyanide Insertion into N—H Bonds: Efficient Access to Unsymmetrical Tetrasubstituted Ureas.
Authors: Huang Xiaomei , Xu Shuguang , Tan Qitao , Gao Mingchun , Li Minjie , Xu Bin
Published: April 2014

The first Cu‐mediated multicomponent reaction proceeding through sequential isocyanide insertion into N—H bond, reductive elimination of CuH and 1,3‐acyl transfer is demonstrated.
ChemInform Abstract: One‐Pot Synthesis of Multisubstituted Quaterphenyls and Cyclopropanes.
Authors: Chang Meng‐Yang , Chan Chieh‐Kai , Lin Shin‐Ying , Wu Ming‐Hao
Published: April 2014

Simple and metal‐free protocols for the efficient synthesis of a broad range of the title compounds from chalcones and allyl sulfones are presented.
ChemInform Abstract: Bis(amino)cyclopropenylidenes as Organocatalysts for Acyl Anion and Extended Umpolung Reactions.
Authors: Wilde Myron M. D. , Gravel Michel
Published: April 2014

Novel carbene organocatalysts, bis(amino)cyclopropenylidenes are described as alternatives to N‐heterocyclic carbenes.
ChemInform Abstract: Synthesis of α‐Fluoroketones and α‐Fluoroenones in Aqueous Media.
Authors: He Yan , Zhang Xinying , Shen Nana , Fan Xuesen
Published: April 2014

A wide range of α‐fluoroketones is prepared from the corresponding bromides using tetrabutylammonium fluoride as the fluorinating agent.
ChemInform Abstract: An Improved Synthesis of a Hydroxymethyl Tricyclic Ketone from Cyclohexanone, the Key Processes for the Synthesis of a Highly Potent Antiinflammatory and Cytoprotective Agent.
Authors: Saito Akira , Zheng Suqing , Takahashi Motohiro , Li Wei , Ojima Iwao , Honda Tadashi
Published: April 2014

Compound (VI) is a key structure for the synthesis of TBE‐31 (VII), which can be obtained after 10 further steps.
ChemInform Abstract: Rhodium Acetate‐Catalyzed Aerobic Mukaiyama Epoxidation of Alkenes.
Authors: Shabashov Dmitry , Doyle Michael P.
Published: April 2014

A broad range of cis‐ and trans‐alkenes is transformed into the corresponding epoxides.
ChemInform Abstract: Engineered P450pyr Monooxygenase for Asymmetric Epoxidation of Alkenes with Unique and High Enantioselectivity.
Authors: Li Aitao , Liu Ji , Pham Son Q. , Li Zhi
Published: April 2014

The first access to (R)‐configured epoxides from para‐substituted styrenes in excellent stereoselectivity, using enzyme catalysis is revealed.
ChemInform Abstract: Enantioselective Pd(II)—Pd(IV) Catalysis Utilizing a SPRIX Ligand: Efficient Construction of Chiral 3‐Oxy‐tetrahydrofurans.
Authors: Takenaka Kazuhiro , Dhage Yogesh D. , Sasai Hiroaki
Published: April 2014

An asymmetric cyclative acetoxylation of alkenyl alcohols (I) in the presence of a chiral iPr‐SPRIX ligand affords optically active 3‐acetyloxy‐tetrahydrofurans (III).
ChemInform Abstract: Synthesis and Anticancer Activity of Novel Halolactones with β‐Aryl Substituents from Simple Aromatic Aldehydes.
Authors: Gladkowski Witold , et al. et al.
Published: April 2014

Starting from commercially available aldehydes a series of novel halolactones, possessing β‐phenyl‐γ‐ or δ‐lactone frameworks, are described.
ChemInform Abstract: Metal‐Free Oxidative Cyclization of Alkynyl Aryl Ethers to Benzofuranones.
Authors: Graf Katharina , Ruehl Carmen L. , Rudolph Matthias , Rominger Frank , Hashmi A. Stephen K.
Published: April 2014

Readily available phenols can be converted into substituted aryl alkynyl ethers, which react with an N‐oxide as oxidant and catalytic amounts of a Broensted acid to provide benzofuranones.
ChemInform Abstract: Facial Preparation of Sulfonic Acid‐Functionalized Magnetite‐Coated Maghemite as a Magnetically Separable Catalyst for Pyrrole Synthesis.
Authors: Mahmoudi Hajar , Jafari Abbas Ali
Published: April 2014

The newly developed catalyst is successfully used in Paal—Knorr and Clauson—Kaas reactions giving diversely substituted pyrrole derivatives in high yields.
ChemInform Abstract: Multicomponent Synthesis of Unnatural Pyrrolizidines Using 1,3‐Dipolar Cycloaddition of Proline Esters.
Authors: Mancebo‐Aracil Juan , Najera Carmen , Sansano Jose M.
Published: April 2014

The simple 1,3‐dipolar cycloaddition of proline esters, aldehydes, and dipolarophiles such as (III) and (VII) affords highly substituted unnatural pyrrolizidine alkaloids such as (IV), (VI), (VIIII), and (X) in good regio‐ and diastereoselectivity.
ChemInform Abstract: GAP Chemistry for Pyrrolyl Coumarin Derivatives: A Highly Efficient One‐Pot Synthesis under Catalyst‐Free Conditions.
Authors: Wang Huiyan , Liu Xuecheng , Feng Xian , Huang Zhibin , Shi Daqing
Published: April 2014

A concise and efficient one‐pot synthesis of pentasubstituted pyrroles via a four‐component reaction is described.
ChemInform Abstract: Synthesis of 2,3‐Dihydro‐1H‐isoindole‐1‐thiones via the Bromine—Lithium Exchange Between 1‐Bromo‐2‐(1‐isothiocyanatoalkyl)benzenes and Butyllithium.
Authors: Kobayashi Kazuhiro , Yokoi Yuki , Nakahara Tatsuya , Matsumoto Naoki
Published: April 2014

A facile procedure is presented for the conversion of substrates (I) and (III) into isoindole‐1‐thiones via bromine‐lithium exchange followed by intramolecular cyclization.
ChemInform Abstract: Metal Free Quick Introduction of Azole in to Azine Nucleus: Acid Catalyzed Reissert—Henze Reaction.
Authors: Velavan A. , Mondal Dibyendu , Survase Sachin
Published: April 2014

Optimum reaction conditions are examined for the reaction of N‐tosylimidazoles derivatives (II) or (X) with pyridine, quinoline or isoquinoline N‐oxides to give the corresponding imidazole‐substituted N‐heterocycles.
ChemInform Abstract: Reusable and Highly Active Supported Copper(I)—NHC Catalysts for Click Chemistry.
Authors: Collinson John‐Michael , Wilton‐Ely James D. E. T. , Diez‐Gonzalez Silvia
Published: April 2014

The copper‐NHC catalyst shows a catalytic activity comparable to homogeneous catalysts and can be reused nine times after simple decantation.
ChemInform Abstract: Synthesis and Evaluation of Novel Azoles as Potent Antifungal Agents.
Authors: Li Liangjing , Ding Hao , Wang Baogang , Yu Shichong , Zou Yan , Chai Xiaoyun , Wu Qiuye
Published: April 2014

All new azoles (III) (20 examples) show good antifungal activities against seven common clinical fungi, but are inactive against Aspergillus fumigatus.
ChemInform Abstract: Design of Benzothiazole‐1,3,4‐thiadiazole Conjugates: Synthesis and Anticonvulsant Evaluation.
Authors: Siddiqui Nadeem , Ahuja Priya , Malik Sachin , Arya Satish K.
Published: April 2014

24 Title compounds of type (III) are prepared and evaluated for their anticonvulsant activities whereas, best results are achieved for (IIIb), (IIIc), and (IIId).
ChemInform Abstract: Nanozeolite Clinoptilolite as a Highly Efficient Heterogeneous Catalyst for the Synthesis of Various 2‐Amino‐4H‐chromene Derivatives in Aqueous Media.
Authors: Baghbanian Seyed Meysam , Rezaei Niloufar , Tashakkorian Hamed
Published: April 2014

Nano‐milled clinoptilolite is successfully applied as catalyst in the three‐component synthesis of various 2‐amino‐4H‐chromene derivatives.
ChemInform Abstract: Generation of 4‐Substituted Coumarins via C—H Bond Activation under Palladium Bromide—Copper(I) Bromide Cooperation Catalysis.
Authors: Sheng Jie , Fan Congbin , Wu Jie
Published: April 2014

It is demonstrated that the system PdBr2/CuBr/PCy3 efficiently catalyzes the heteroarylation of 4‐tosyloxy coumarins.
ChemInform Abstract: Synthesis of (1S,3R,4S)‐1‐Methyl‐3,4‐diphenyl‐3,4‐dihydro‐1H‐isochromene‐3,4‐diol.
Authors: Shishkina Irina N. , Sokolovskaya Ekaterina Yu. , Potekhin Konstantin A , Demyanovich Valeriya M.
Published: April 2014

The reaction of chiral phenylethanol (I) with benzil (II) selectively gives title compound (III).
ChemInform Abstract: Design, Synthesis, and Anticancer Properties of Novel Benzophenone‐Conjugated Coumarin Analogues.
Authors: Ranganatha V. Lakshmi , Zameer Farhan , Meghashri S. , Rekha N. D. , Girish V. , Gurupadaswamy H. D. , Khanum Shaukath Ara
Published: April 2014

Compounds (Ic)—(Ie) show potent anticancer activity against MCF‐7 cells.
ChemInform Abstract: A Facile Synthesis of 3‐Substituted Benzofurans and Indoles Through a Palladium‐Catalyzed Domino Carbopalladation/CH‐Activation/Isomerization Process.
Authors: Tietze Lutz F. , Hungerland Tim , Ammermann Jonas , Eichhorst Christoph , Reichmann Sven O. , Stalke Dietmar
Published: April 2014

Novel benzofurans and indoles (II) are synthesized by a domino carbopalladation/CH‐activation/isomerization process.
ChemInform Abstract: Selective C—H Fluorination of Pyridines and Diazines Inspired by a Classic Amination Reaction.
Authors: Fier Patrick S. , Hartwig John F.
Published: April 2014

A side selective single‐fluorination of pyridines is presented using commercially available AgF2 as fluorination agent and avoiding tedious multiple step procedures.
ChemInform Abstract: Organocatalytic Synthesis of Tetrahydroquinolines from α,β‐Unsaturated Ketones via 1,5‐Hydride Transfer/Cyclization.
Authors: Kim Dae Young
Published: April 2014

A hydride transfer/cyclization reaction of cyclic amines containing an α,β‐unsaturated ketone moiety is described leading to tricyclic title compounds as mixtures of two diastereomers.
ChemInform Abstract: Enantioselective Lewis Acid Catalysis of Intramolecular Enone [2 + 2] Photocycloaddition Reactions.
Authors: Brimioulle R. , Bach T.
Published: April 2014

The utilization of the products is demonstrated on the compound (VI) as chiral key intermediate for the synthesis of (+)‐lupinine (X) and (+)‐thermopsine (XII).
ChemInform Abstract: Visible Light‐Mediated Synthesis of Quinazolines from 1,2‐Dihydroquinazoline 3‐Oxides.
Authors: Chen Yi‐Chou , Yang Ding‐Yah
Published: April 2014

N‐oxides (I) undergo photoinduced intramolecular electron transfer from amine hydrogen to iminium oxide and subsequent dehydration to form quinazolines.
ChemInform Abstract: Selective Reduction of Barbituric Acids Using Sml2/H2O: Synthesis, Reactivity, and Structural Analysis of Tetrahedral Adducts.
Authors: Szostak Michal , Sautier Brice , Spain Malcolm , Behlendorf Maike , Procter David J.
Published: April 2014

The selective mono‐reduction of barbituric acids with an aqueous solution of samarium iodide is developed.
ChemInform Abstract: Regio‐ and Stereochemical Studies on the Nitroso‐Diels—Alder Reaction with 1,2‐Disubstituted Dienes.
Authors: Galvani Gilles , Lett Robert , Kouklovsky Cyrille
Published: April 2014

A protocol for the stereoselective control of the Diels‐Alder reaction employing the Wightman nitroso reagent is also described.
ChemInform Abstract: Convenient Syntheses of Halo‐Dibenz[b,f]azepines and Carbamazepine Analogues via N‐Arylindoles.
Authors: Elliott Emma‐Claire , Maggs James L. , Park B. Kevin , O'Neill Paul M. , Stachulski Andrew V.
Published: April 2014

A two‐step‐approach to title compounds (IV) based on N‐arylation of indole derivatives (I), followed by acid‐catalyzed rearrangement is reported.
ChemInform Abstract: Systematic Survey of Positive Chlorine Sources in the Asymmetric Appel Reactions: Oxalyl Chloride as a New Phosphine Activator.
Authors: Rajendran Kamalraj V. , Kennedy Lorna , O'Connor Cormac T. , Bergin Enda , Gilheany Declan G.
Published: April 2014

The formation of enantioenriched phosphine oxides (II) and (IV) is studied using different reactive chlorine compounds to form chlorophosphonium intermediates followed by an asymmetric Appel reaction with menthol or 8‐phenylmenthol.
ChemInform Abstract: Copper‐Catalyzed Distannylation of Alkynes.
Authors: Yoshida Hiroto , Shinke Ayako , Takaki Ken
Published: April 2014

A Cu(I)‐phosphine complex is found to promote the distannylation of alkynes (I) and (IV) with the aid of a base, where catalytically generated Cu‐Sn species serves as a key intermediate.
ChemInform Abstract: Pestalotiopens A (I) and B (II): Stereochemically Challenging Flexible Sesquiterpene‐Cyclopaldic Acid Hybrids from Pestalotiopsis sp.
Authors: Hemberger Yasmin , Xu Jing , Wray Victor , Proksch Peter , Wu Jun , Bringmann Gerhard
Published: April 2014

In addition, the absolute configuration of the already known co‐occurring phytotoxin altiloxin B (III) is presented.
ChemInform Abstract: First Synthesis of p‐Mentha‐1,8‐diene Triol
Authors: Ardashov O. V. , Khaid E.V. , Mikhal'chenko O. S. , Korchagina D. V. , Volcho K. P. , Salakhutdinov N. F.
Published: April 2014

starting from commercially available (‐)‐verbenone
ChemInform Abstract: Senedensiscins A—F: Six New Eudesmane Sesquiterpenoid Glucosides from Senecio densiserratus
Authors: Chen Jian‐Jun , Wei Hong‐Bo , Xu Yuan‐Zhen , Hu Shu‐Chen , Gao Kun
Published: April 2014

isolation, structure elucidation and evaluation of biological activity
ChemInform Abstract: Nucleotides and Nucleic Acids; Oligo‐ and Polynucleotides
Authors: Loakes David
Published: April 2014

Review: literature for 2011 dealing with the synthesis of nucleotides and nucleic acidincluding peptide and locked nucleic acids, oligo‐ and polynucleotides; 714 ref s.
ChemInform Abstract: The Synthesis of Alkaloids Using Transition‐Metal‐Catalyzed Intramolecular Amination Reactions
Authors: Ohno Hiroaki , Chiba Hiroaki , Inuki Shinsuke , Oishi Shinya , Fujii Nobutaka
Published: April 2014

Review: 54 refs.+subrefs.
ChemInform Abstract: Mechanistic Aspects of Dinitrogen Cleavage and Hydrogenation to Produce Ammonia in Catalysis and Organometallic Chemistry: Relevance of Metal Hydride Bonds and Dihydrogen
Authors: Jia Hong‐Peng , Quadrelli Elsje Alessandra
Published: April 2014

Review: 60 refs.
ChemInform Abstract: Heterogeneous Photocatalytic Nanomaterials: Prospects and Challenges in Selective Transformations of Biomass‐Derived Compounds
Authors: Colmenares Juan Carlos , Luque Rafael
Published: April 2014

Review: 50 refs.
ChemInform Abstract: Catalytic Aromatization of Methane
Authors: Spivey James J. , Hutchings Graham
Published: April 2014

Review: recent progress in the catalytic aromatization of methane to produce benzene and hydrogen; 55 refs.
ChemInform Abstract: Developments in Nitrosocarbonyl Chemistry: Mild Oxidation of N‐Substituted Hydroxylamines Lead to New Discoveries
Authors: Palmer Leoni I. , Frazier Charles P. , Read de Alaniz Javier
Published: April 2014

Review: 37 refs.+subrefs.
ChemInform Abstract: Metal‐Catalyzed Cross‐Coupling Reactions of Halomaleic Anhydrides and Halomaleimides: Synthesis of Structurally Interesting and Biologically Important Natural and Unnatural Products
Authors: Deore Prashant S. , Argade Narshinha P.
Published: April 2014

Review: 29 refs.+subrefs.
ChemInform Abstract: The Cross‐Dehydrogenative Coupling of Csp3—H Bonds: A Versatile Strategy for C—C Bond Formations
Authors: Girard Simon A. , Knauber Thomas , Li Chao‐Jun
Published: April 2014

Review: [116 refs.
ChemInform Abstract: Chemical Crystallography before X‐Ray Diffraction
Authors: Molcanov Kresimir , Stilinovic Vladimir
Published: April 2014

Review: [137 refs.
ChemInform Abstract: Bacterial Degradation of Nitrophenols and Their Derivatives
Authors: Arora Pankaj Kumar , Srivastava Alok , Singh Vijay Pal
Published: April 2014

Review: 138 refs.
ChemInform Abstract: Janus Nanoparticles: Preparation, Characterization, and Applications
Authors: Song Yang , Chen Shaowei
Published: April 2014

Review: 72 refs.
ChemInform Abstract: Metal‐Free Graphene Based Catalysts: A Review
Authors: Haag Del Rae , Kung Harold H.
Published: April 2014

Review: 85 refs.
ChemInform Abstract: Kinetic Monte Carlo Simulations of Heterogeneously Catalyzed Oxidation Reactions
Authors: Hess Franziska , Over Herbert
Published: April 2014

Review: 94 refs.
ChemInform Abstract: Biomolecular Magic‐Angle Spinning Solid‐State NMR: Recent Methods and Applications
Authors: Goldbourt Amir
Published: April 2014

Review: 113 refs.
ChemInform Abstract: High‐Frequency and ‐Field Electron Paramagnetic Resonance of Transition Metal Ion (d Block) Coordination Complexes
Authors: Telser Joshua , Ozarowski Andrew , Krzystek J.
Published: April 2014

Review: 309 refs.
ChemInform Abstract: EPR Characterization of Diamagnetic and Magnetic Organic Soft Materials Using Nitroxide Spin Probe Techniques
Authors: Tamura Rui , Suzuki Katsuaki , Uchida Yoshiaki , Noda Yohei
Published: April 2014

Review: 34 refs.
Stratosphere‐Troposphere Exchange Corresponding to a Deep Convection in the Warm Sector and Abnormal Subtropical Front Induced by a Cutoff Low over East Asia
Authors: Chun‐Hua SHI , Dong GUO , Hui LI , Bin ZHENG , Ren‐Qiang LIU
Published: April 2014

We studied a deep convection in the warm sector and abnormal subtropical front caused by a cutoff low over East Asia in June 2009 by using cloud profile radar data from Cloudsat, temperature of black body from FY2C, atmospheric compositions from Aura/MLS, meteorological data from the ECMWF and HYSPLIT4 trajectory model. The analysis shows that for the sake of the background of southern trough, there is a weaker rainfall from the inner fronts, while nearly 1000km‐scale deep convection occurs in the warm sector. At the nearly mature stage of the low, the subtropical front induced by the cutoff low is abnormally developing throughout the whole troposphere, which is due to the warm and humid air from southwest gathering along the subtropical front. After rapid eastward movement of the front into the rain belt of the warm sector, the strong ascending branch of thermal indirect secondary circulation across the frontal zone enhances deep convection at the colder part below the front. But it is difficult to sustain because the supplement of water vapor is blocked by the abnormal front. Furthermore, intense stratosphere‐troposphere exchange occurs in the abnormal subtropical front zone due to the convective injection into stratospheric intrusions. On the scatter plot of ozone and water vapor these are two special gathering areas with both high (low) concentrations of the two species.
Precise and Rapid Recovery of the Earth's Gravity Field from the Next‐Generation GRACE Follow‐On Mission using the Residual Intersatellite Range‐Rate Method
Authors: Wei ZHENG , Hou‐Tse HSU , Min ZHONG , Cheng‐Shu LIU , Mei‐Juan YUN
Published: April 2014

The Earth's gravitational field from the Gravity Recovery and Climate Experiment (GRACE) Follow‐On mission up to degree and order 120 is recovered based on a new residual intersatellite range‐rate method (RIRM) by numerical simulation. Due to low‐precision orbit determination by the Global Positioning System (GPS), a new RIRM observation equation is created by introducing the residual intersatellite range‐rate with a precision of 10−7 m/s from the interferometric laser ranging (ILR) system into the line‐of‐sight (LOS) component of the residual orbital velocity difference vector from the twin satellites. The optimal number of interpolation points is comparatively demonstrated by the two‐point, four‐point, six‐point and eight‐point RIRM formulas, respectively. If the correlation coefficient and sampling interval are fixed, when the amount of signals from satellite observations is effectively enhanced with increasing the number of interpolation points, the satellite observation errors are simultaneously improved. Therefore, the six‐point RIRM formula is a preferred selection for recovering the Earth's gravitational field complete up to degree and order 120. The impact of the correlation coefficient on the accuracy of the Earth's gravitational field recovery exhibits different characteristics in different frequency bands. With the gradual increase of the correlation coefficients, the accuracy of the Earth's gravitational field recovery decreases in the long‐wavelength range, while it increases in the medium‐long‐wavelength range. The study on a comparison of influences of intersatellite range‐rate and residual intersatellite range‐rate measurements on the accuracies of the Earth's gravitational field recovery from GRACE Follow‐On mission is conducted, which indicates that cumulative geoid height errors from GRACE Follow‐On are 1.638×10−3 m and 1.396×10−3 m using the six‐point RIRM formula, an observation duration of 30 days and a sampling interval of 5 s at degree 120, respectively. The research results show that the sensitivity of satellite gravity recovery using residual intersatellite range‐rate measurements is greater than that using intersatellite range‐rate measurements, and the accuracy of the Earth's gravitational field recovery from GRACE Follow‐On is at least 10 times higher than that from GRACE.
Geothermal Characteristics and Hydrocarbon Accumulation of the Northern Marginal Basins, South China Sea
Authors: Xiao‐Yin TANG , Sheng‐Biao HU , Gong‐Cheng ZHANG , Jian‐She LIANG , Shu‐Chun YANG , Song RAO , Wei‐Wei LI
Published: April 2014

A total of 65 new heat flow data were obtained based on newly determined thermal conductivity and collected temperature logging data. Using these data together with those from previous studies, we constructed a geothermal gradient map as well as a heat flow map for the northern marginal basins of the South China Sea. Furthermore, geothermal characteristics of these basins and their relationship with oil and gas field distribution were analyzed. The results show that the four sub‐basins located in the northern South China Sea, namely the Pearl River Mouth Basin, Qiongdongnan Basin, Beibuwan Basin and Yinggehai Basin, are typical “hot basins” with average heat flow of 68.7±11 mW/m2, 71.1±13 mW/m2, 65.7±8.9 mW/m2, and 74.7±10 mW/m2, respectively. The overall heat flow distribution pattern in the study area, which gradually increases from the shelf to the slope corresponding with crust thinning trend, are generally controlled by regional tectonic setting. Meanwhile some high local heat flow anomalies are likely to be attributed to the fault and magmatic activities. The geothermal field may control and restrict oil and gas accumulation in the study area. In light of exploration results of these basins, we find that the gas fields are mostly located in the high heat flow basins (depressions) while the oil fields more likely lie in relatively lower heat flow basins (depressions).
Least‐Squares Reverse Time Migration in Visco‐Acoustic Media
Authors: Zhen‐Chun LI , Zhen‐Bo GUO , Kun TIAN
Published: April 2014

As the subsurface medium is widely viscous, it is necessary to compensate absorption and to correct dispersion of seismic waves in true‐amplitude pre‐stack imaging. The instability problem encountered in conventional inverse‐Q migration hinders the application of the method. In this work, imaging was treated as a linear inverse problem named least‐squares reverse time migration (LSRTM). Firstly, we linearized the wave equation and defined the cost function. Then based on the derived equations of the adjoint wave propagation operator, iterative solution was derived using the adjoint‐state method. At last dynamical phase encoding technology was used to reduce computation cost. This method breaks a new way for imaging in visco‐acoustic media while avoiding the instability problem. The true‐amplitude imaging results can be obtained while compensating absorption and correcting dispersion automatically. It is also a good way to suppress the imaging noise and correct amplitude unbalance caused by geometrical spreading or weak illumination. Compared with conventional reverse time migration (RTM), this method can yield results with higher resolution and lower imaging noise. The validity of the method was demonstrated by the numerical test on synthetic seismic data.
A Denoising Method Based on Kernel Principal Component Analysis for Airborne Time‐Domain Electromagnetic Data
Authors: Bin CHEN , Cong‐De LU , Guang‐Ding LIU
Published: April 2014

Airborne time‐domain electromagnetic (ATEM) data usually contain natural and cultural noise, which can lower data quality, influence inversion accuracy or even lead to incorrect interpretation if it is not removed from data using an appropriate filter. To solve this problem, this work suggests a denosing method based on kernel principal component analysis. Firstly, it extracts the principal component from stacked decay curves. Then the useful signals, which are associated with subsurface media, and noise are separated using the energy ratio. Finally, these signals are used to perform reconstruction. This method can not only remove natural noise such as spikes or oscillation caused by sferies, but also effectively suppress cultural noise. Using this method and the AeroTEM software, the real ATEM data from a helicopter survey is processed separately. Comparison of the results shows that the denoising effect of the method suggested by this paper is superior to that of the AeroTEM software.
Nonlinear Dimensionality Reduction for Visualizing Toxicity Data: Distance‐Based Versus Topology‐Based Approaches
Authors: Kireeva Natalia V. , Ovchinnikova Svetlana I. , Tetko Igor V. , Asiri Abdullah M. , Balakin Konstantin V. , Tsivadze Aslan Yu.
Published: April 2014

Over the years, a number of dimensionality reduction techniques have been proposed and used in chemoinformatics to perform nonlinear mappings. In this study, four representatives of nonlinear dimensionality reduction methods related to two different families were analyzed: distance‐based approaches (Isomap and Diffusion Maps) and topology‐based approaches (Generative Topographic Mapping (GTM) and Laplacian Eigenmaps). The considered methods were applied for the visualization of three toxicity datasets by using four sets of descriptors. Two methods, GTM and Diffusion Maps, were identified as the best approaches, which thus made it impossible to prioritize a single family of the considered dimensionality reduction methods. The intrinsic dimensionality assessment of data was performed by using the Maximum Likelihood Estimation. It was observed that descriptor sets with a higher intrinsic dimensionality contributed maps of lower quality. A new statistical coefficient, which combines two previously known ones, was proposed to automatically rank the maps. Instead of relying on one of the best methods, we propose to automatically generate maps with different parameter values for different descriptor sets. By following this procedure, the maps with the highest values of the introduced statistical coefficient can be automatically selected and used as a starting point for visual inspection by the user.
The Discovery of Potent Nonstructural Protein 5A (NS5A) Inhibitors with a Unique Resistance Profile—Part 2
Authors: Wakenhut Florian , Tran Thien Duc , Pickford Chris , Shaw Stephen , Westby Mike , Smith‐Burchnell Caroline , Watson Lesa , Paradowski Michael , Milbank Jared , Stonehouse David , Cheung Kathy , Wybrow Robert , Daverio Felice , Crook Samuel , Statham Keith , Leese David , Stead Darren , Adam Fiona , Hay Duncan , Roberts Lee R. , Chiva Jean‐Yves , Nichols Carly , Blakemore David C. , Goetz Gilles H. , Che Ye , Gardner Iain , Dayal Satish , Pike Andrew , Webster Rob , Pryde David C.
Published: April 2014

In ongoing studies towards novel hepatitis C virus (HCV) therapeutics, inhibitors of nonstructural protein 5A (NS5A) were evaluated. Specifically, starting from previously reported lead compounds, peripheral substitution patterns of a series of biaryl‐linked pyrrolidine NS5A replication complex inhibitors were probed and structure–activity relationships were elucidated. Using molecular modelling and a supercritical fluid chromatographic (SFC) technique, intramolecular H‐bonding and peripheral functional group topology were evaluated as key determinants of activity and membrane permeability. The novel compounds exhibited retained potency as compared with the lead compounds, and also showed promising results against a panel of resistance viruses. Together, the results of the study take us a step closer towards understanding the potency of daclatasvir, a clinical candidate upon which the compounds were based, and to designing improved analogues as second‐generation antiviral agents targeting NS5A.
Location and Conformation of Amyloid β(25–35) Peptide and its Sequence‐Shuffled Peptides within Membranes: Implications for Aggregation and Toxicity in PC12 Cells
Authors: Tsai Hui‐Hsu Gavin , Lee Jian‐Bin , Shih Yuan‐Ci , Wan Lei , Shieh Fa‐Kuen , Chen Chin‐Yu
Published: April 2014

Extracellular deposits of amyloid β (Aβ) aggregates in the brain is the hallmark of Alzheimer’s disease. We present the configurations (location and conformation) and the interfacial folding and membrane insertion mechanisms of Aβ fragments, wild‐type Aβ(25–35), Aβ(35–25), and a sequence‐shuffled peptide [Aβ(25–35)‐shuffled] from Aβ(25–35) within membranes by replica‐exchange molecular dynamics simulations. Although these peptides have the same amino acid composition, simulations show they have distinct locations and conformations within membranes. Moreover, our in vitro experiments show that these peptides have distinct neurotoxicities. We rationalize the distinct neurotoxicities of these peptides in terms of their simulated locations and conformations in membranes. This work provides another view that complements the general hydrophobicity–toxicity views, to better explain the neurotoxicity of Aβ peptides.
Inhibition of Cathepsin Activity in a Cell‐Based Assay by a Light‐Activated Ruthenium Compound
Authors: Respondek Tomasz , Sharma Rajgopal , Herroon Mackenzie K. , Garner Robert N. , Knoll Jessica D. , Cueny Eric , Turro Claudia , Podgorski Izabela , Kodanko Jeremy J.
Published: April 2014

Light‐activated inhibition of cathepsin activity was demonstrated in a cell‐based assay. Inhibitors of cathepsin K, Cbz‐Leu‐NHCH2CN (2) and Cbz‐Leu‐Ser(OBn)‐CN (3), were caged within the complexes cis‐[Ru(bpy)2(2)2]Cl2 (4) and cis‐[Ru(bpy)2(3)2](BF4)2 (5) (bpy=2,2′‐bipyridine) as 1:1 mixtures of Δ and Λ stereoisomers. Complexes 4 and 5 were characterized by 1H NMR, IR, and UV/Vis spectroscopies and electrospray mass spectrometry. Photochemical experiments confirm that 4 releases two molecules of 2 upon exposure to visible light for 15 min, whereas release of 3 by 5 requires longer irradiation times. IC50 determinations against purified cathepsin K under light and dark conditions with 4 and 5 confirm that inhibition is enhanced from 35‐ to 88‐fold, respectively, upon irradiation with visible light. No apparent toxicity was observed for 4 in the absence or presence of irradiation in bone marrow macrophage (BMM) or PC3 cells, as determined by MTT assays, at concentrations up to 10 μM. Compound 5 is well tolerated at lower concentrations (<1 μM), but does show growth‐inhibitory effects at higher concentrations. Confocal microscopy experiments show that 4 decreases intracellular cathepsin activity in osteoclasts with light activation. These results support the further development of caged nitrile‐based inhibitors as chemical tools for investigating spatial aspects of proteolysis within living systems.
Caulerpenyne and Related Bis‐enol Esters Are Novel‐Type Inhibitors of Human 5‐Lipoxygenase
Authors: Richter Phillipp , Schubert Gregor , Schaible Anja Maria , Cavas Levent , Werz Oliver , Pohnert Georg
Published: April 2014

Caulerpenyne (CYN) is a sesquiterpene from green algae with known inhibitory properties against soybean lipoxygenase. Here we introduce a detailed structure–activity study elucidating the inhibitory effects of CYN and a library of six synthetic CYN analogues on isolated human 5‐lipoxygenase (5‐LO) and cellular 5‐LO in polymorphonuclear leukocytes. Essential structural elements are identified and a structurally simplified inhibitor is introduced. The modes of 5‐LO inhibition by CYN and the synthetic inhibitors cannot be assigned to any of the known categories of lipoxygenase inhibitors. These compounds clearly interfere directly with 5‐LO and represent rather small and flexible molecules, with unique structures among 5‐LO inhibitors identified thus far.
OB‐IMA: out‐of‐the‐box integrity measurement approach for guest virtual machines
Authors: Xing Bin , Han Zhen , Chang Xiaolin , Liu Jiqiang
Published: April 2014

Infrastructure as a Service cloud provides elasticity and scalable virtual machines (VMs) as computing service to multiple tenants, but the tenants lose the full control of their data. Measuring the integrity of critical files of the VMs and providing the integrity attestation to the tenants on the basis of TCG trusted computing techniques is an effective way to alleviate their anxiety. This paper considers how to measure the integrity of the processes run in guest VMs and files opened in guest VMs. We propose an out‐of‐the‐box integrity measurement approach to measure the integrity of critical files through system call (syscall) interception without any modification of the guest VMs. Out‐of‐the‐box integrity measurement approach can not only measure the integrity of all files that have been considered by existing approaches but also measure the integrity of the system configuration files, program loaders, and script interpreters, which affect the system behaviors and integrity. The ability of supporting both system and manual measurement policies makes our approach flexible. We implement this approach in Xen hypervisor with little modification of the existing syscall interception method, and this approach can be ported to other virtualization platform easily. Copyright © 2014 John Wiley & Sons, Ltd.
A Metallocene Molecular Complex as Visible‐Light Absorber for High‐Voltage Organic–Inorganic Hybrid Photovoltaic Cells
Authors: Ishii Ayumi , Miyasaka Tsutomu
Published: April 2014

A thin solid‐state dye‐sensitized photovoltaic cell is fabricated by composing organic and inorganic heterojunctions in which the visible‐light sensitizers are cyclopentadiene derivatives (Cp*) coordinated to a metal oxide, typically TiO2. The coordination bonds of the metallocene molecular complex (Ti–Cp*) create a new LMCT (ligand‐to‐metal charge transfer) absorption band and induce a rectified charge transfer from the organic ligands to TiO2, leading to photocurrent generation. Photovoltaic junctions are completed by coating crystalline organic molecules (perylene) as a hole‐transport layer on the Cp*‐coordinated TiO2 surface by using the vapor deposition method. The molecular plane of Cp* on the TiO2 surfaces seems to help the hole‐transport layer to form ordered structures, which effectively improve carrier conductivities and minimize interfacial resistance. The organic–inorganic hybrid thin‐film photocell with metallocene molecular complexes is capable of generating high open‐circuit voltages exceeding 1.2 V.
From Molecular Structures of Ionic Liquids to Predicted Retention of Fatty Acid Methyl Esters in Comprehensive Two‐Dimensional Gas Chromatography
Authors: Kulsing Chadin , Nolvachai Yada , Zeng Annie Xu , Chin Sung‐Tong , Mitrevski Blagoj , Marriott Philip J.
Published: April 2014

Ionic liquids (ILs) are attractive stationary phases to broaden selectivity in gas chromatography (GC). The rational design, selection and application of ILs in comprehensive two‐dimensional GC is a desirable goal. In this study, methods to predict two‐dimensional chromatograms of fatty acid methyl esters (FAMEs) starting from given structures of IL stationary phases and their interactions with FAME solutes are described. Molecular parameters of the dipole moment, lowest unoccupied molecular orbital energy and molar volume of different ILs were calculated by using Gaussian 09. With established correlations between molecular simulation and linear solvation energy relationships, molecular parameters were converted to s, e and l values for stationary phase descriptors. This allowed reliable prediction of the equivalent chain length of FAMEs on each IL column (with the correlation R2=0.98). Isovolatility curves in GC×GC space of reference saturated FAMEs were then determined for each IL column to take into account the dependence of retention time on temperature in temperature‐programmed separation. The resulting predicted GC×GC chromatograms were compared with previously reported experimental results. Correlations with R2 values of 0.99 and 0.98 were achieved for the first‐ and second‐dimension retention times, respectively.
Synthesis and growth mechanism of ZnO rod‐like nanostructures by a microwave‐assisted low‐temperature aqueous solution route
Authors: Li Qiang , Cao Wenbo , Lei Jun , Zhao Xuelei , Hou Tiecui , Fan Bingbing , Chen Deliang , Zhang Liwei , Wang Hailong , Xu Hongliang , Zhang Rui , Lu Hongxia
Published: April 2014

A zinc oxide (ZnO) nanoarray (rod‐like nanostructure) was successfully synthesized through a low‐temperature aqueous solution and microwave‐assisted synthesis using zinc nitrate hexahydrate (Zn(NO3)2·6H2O) and hexamethylenetetramine (HMTA) as raw materials, and using FTO glass as substrate. The effects of parameters in the preparation process, such as solution concentration, reaction temperature and microwave power, on the morphology and microstructure of ZnO nanoarray were studied. Phase structure and morphology of the products were characterized by X‐ray diffraction (XRD) and scanning electron microscopy (SEM), respectively. The results indicated that hexagonal wurtzite structure ZnO nanoarray with good crystallization could be prepared through a low‐temperature solution method. When the concentration of the mixed solution was 0.05 M, the reaction temperature was 95 °C, and the reaction time was 4 h, high‐density ZnO regular nanorods of 200 nm diameter were obtained. A possible mechanism with different synthesis methods and the influence of microwave processing are also proposed in this paper.
Characterization of Scrape‐Off Layer Turbulence Changes Induced by a Non‐Axisymmetric Magnetic Perturbation in an ASDEX Upgrade Low Density L‐Mode
Authors: Müller H. W. , Carralero D. , Birkenmeier G. , Conway G. D. , Fischer R. , Happel T. , Manz P. , Suttrop W. , Wolfrum E. , ASDEX Upgrade Team
Published: April 2014

In the tokamak ASDEX Upgrade the influence of a non‐axisymmetric n = 2 error field on the turbulence in the far scrape‐off layer of a low density L‐mode discharge has been studied. There is no density pump‐out with the non‐axisymmetric perturbation but an increase of the scrape‐off layer density at the outer midplane. While the relative ion saturation current fluctuation level in the far scrape‐off layer is decreasing, the skewness rises and especially the excess kurtosis grows by a factor of 1.5–3. The frequency of intermittent events (blobs) is increasing by 50 %. Also the poloidal velocity grows with the magnetic perturbation while the typical turbulent structure size becomes smaller by a factor 5–10 about 20–25 mm outside the separatrix. The local spectral density has been calculated from a two‐point measurement of the ion saturation current. It is used to derive a dispersion relation. Two poloidal propagation velocities depending on the wave number have been found. One is an upper limit for the bulk E × B velocity and the second one the lower limit of the phase velocity. There is a significant contribution of the phase velocity to the propagation speed in the far scrape‐off layer. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Developmental and contextual considerations for adrenal and gonadal hormone functioning during adolescence: Implications for adolescent mental health
Authors: Marceau Kristine , Ruttle Paula L. , Shirtcliff Elizabeth A. , Essex Marilyn J. , Susman Elizabeth J.
Published: April 2014

Substantial research has implicated the hypothalamic‐pituitary‐adrenal (HPA) and hypothalamic‐pituitary‐gonadal (HPG) axes independently in adolescent mental health problems, though this literature remains largely inconclusive. Given the cross‐talk between the HPA and HPG axes and their increased activation in adolescence, a dual‐axis approach that examines both axes simultaneously is proposed to predict the emergence and persistence of adolescent mental health problems. After briefly orienting readers to HPA and HPG axis functioning, we review the literature examining associations between hormone levels and changes with behavior during adolescence. Then, we provide a review of the literature supporting examination of both axes simultaneously and present the limited research that has taken a dual‐axis approach. We propose future directions including consideration of between‐person and within‐person approaches to address questions of correlated changes in HPA and HPG hormones. Potential moderators are considered to increase understanding of the nuanced hormone–behavior associations during key developmental transitions. © 2014 Wiley Periodicals, Inc. Dev Psychobiol 57: 742–768, 2015.
Cardio‐adipose tissue cross‐talk: relationship between adiponectin, plasma pro brain natriuretic peptide and incident heart failure
Authors: Lindberg Søren , Jensen Jan Skov , Bjerre Mette , Pedersen Sune H. , Frystyk Jan , Flyvbjerg Allan , Mogelvang Rasmus
Published: April 2014

Aims

There is increasing evidence of cross‐talk between the heart, body metabolism, and adipose tissue, but the precise mechanisms are poorly understood. Natriuretic peptides (NPs) have recently emerged as the prime candidate for a mediator. In patients with heart failure (HF), infusion of NPs increases adiponectin secretion, indicating that NPs may improve adipose tissue function and in this way function as a cardio‐protective agent in HF. Accordingly we investigated the interplay between plasma adiponectin, plasma proBNP, and development of HF.

Methods and results

We prospectively followed 5574 randomly selected men and women from the community without ischaemic heart disease or HF. Plasma adiponectin and proBNP were measured at study entry. Median follow‐up time was 8.5 years (interquartile range 8.0–9.1 years). During follow‐up 271 participants developed symptomatic HF. Plasma adiponectin and proBNP were strongly associated (P < 0.001). Participants with increasing adiponectin had increased risk of incident HF (P < 0.001). After adjustment for confounding risk factors (including age, gender, smoking status, body mass ratio, waist–hip ratio, glucose, glycated haemoglobin, systolic and diastolic blood pressure, lipid profile, high sensitivity C‐reactive protein, estimated glomerular filtration rate, and physical activity) by Cox regression analysis, adiponectin remained an independent predictor of HF: the hazard ratio (HR) per 1 standard deviation (SD) increase in adiponectin was 1.20 [95% confidence interval (CI) 1.06–1.30; P = 0.003]. However, the association vanished when plasma proBNP was included in the analysis, HR 1.08 (95% CI 0.95–1.23; P = 0.26).

Conclusions

In conclusion, plasma adiponectin and proBNP are strongly associated. Increasing plasma adiponectin is associated with increased risk of HF. However, concomitantly elevated proBNP levels appear to explain the positive association between adiponectin and risk of HF.
Differential presentation of endogenous and exogenous hepatitis B surface antigens influences priming of CD8+ T cells in an epitope‐specific manner
Authors: Riedl Petra , Reiser Michael , Stifter Katja , Krieger Jana , Schirmbeck Reinhold
Published: April 2014

Little is known about whether presentation of endogenous and exogenous hepatitis B virus (HBV) surface antigens on APCs targeted by vaccination and/or virus‐harboring hepatocytes influences de novo priming of CD8+ T cells. We showed that surface antigen‐expressing transfectants exclusively display a Kb/S190 epitope, whereas cells pulsed with recombinant surface particles (rSPs) exclusively present a Kb/S208 epitope to CD8+ T cells. The differential presentation of these epitopes largely reflects the selective, but not exclusive, priming of Kb/S190‐ and Kb/S208‐specific T cells in C57BL/6 mice by endogenous/DNA‐ or exogenous/protein‐based vaccines, respectively. Silencing the Kb/S190 epitope (Kb/S190V194F) in antigen‐expressing vectors rescued the presentation of the Kb/S208 epitope in stable transfectants and significantly enhanced priming of Kb/S208‐specific T cells in C57BL/6 mice. A Kb/S190‐mediated immunodominance operating in surface antigen‐expressing cells, but not in rSP‐pulsed cells, led to an efficient suppression in the presentation of the Kb/S208 epitope and a consequent decrease in the priming of Kb/S208‐specific T cells. This Kb/S190‐mediated immunodominance also operated in 1.4HBV‐Smut transgenic (tg) hepatocytes selectively expressing endogenous surface antigens and allowed priming of Kb/S208‐ but not Kb/S190‐specific T cells in 1.4HBV‐Smut tg mice. However, IFN‐γ+ Kb/S208‐specific T cells could not inhibit HBV replication in the liver of 1.4HBV‐Smut tg mice. These results have practical implications for the design of T‐cell‐stimulating therapeutic vaccines.