bluuebunny/crossref_metadata_2025 huggingface dataset:
Generating a multiplicity of policies for agent steering in crowd simulation
Authors: Boatright Cory D. , Kapadia Mubbasir , Shapira Jennie M. , Badler Norman I.
Published: April 2014

Pedestrian steering algorithms range from completely procedural to entirely data‐driven, but the former grossly generalize across possible human behaviors and suffer computationally, whereas the latter are limited by the burden of ever‐increasing data samples. Our approach seeks the balanced middle ground by deriving a collection of machine‐learned policies based on the behavior of a procedural steering algorithm through the decomposition of the space of possible steering scenarios into steering contexts. The resulting algorithm scales well in the number of contexts, the use of new data sets to create new policies, and in the number of controlled agents as the policies become a simple evaluation of the rules asserted by the machine‐learning process. We also explore the use of synthetic data from an “oracle algorithm” that serves as an as‐needed source of samples, which can be stochastically polled for effective coverage. We observe that our approach produces pedestrian steering similar to that of the oracle steering algorithm, but with a significant performance boost. Runtime was reduced from hours under the oracle algorithm with 10 agents to on the order of 10 frames per second (FPS) with 3000 agents. We also analyze the nature of collisions in such a framework with no explicit collision avoidance. Copyright © 2014 John Wiley & Sons, Ltd.
The CT halo sign in invasive aspergillosis
Authors: Shroff Sheetal , Shroff Girish S. , Yust‐Katz Shlomit , Olar Adriana , Tummala Sudhakar , Tremont‐Lukats Ivo W.
Published: April 2014

Key Clinical Message

In immunocompromised patients, the pulmonary computed tomography halo sign is highly suggestive of angioinvasive aspergillosis. Early recognition may be life‐saving.
ChemInform Abstract: High‐Pressure Close‐Packed Structure of Boron.
Authors: Li Da , Bao Kuo , Tian Fubo , Jin Xilian , Duan Defang , He Zhi , Liu Bingbing , Cui Tian
Published: April 2014

Based on ab initio calculations, a high‐pressure close‐packed phase of boron (B10) with hexagonal P63/mcm symmetry is predicted to be stable over α‐Ga phase above 375 GPa to at least 500 GPa.
ChemInform Abstract: Rb2Lu[Si4O10]F, a Tubular Chain Silicate.
Authors: Kahlenberg Volker , Manninger Tanja
Published: April 2014

Single crystals of Rb2Lu[Si4O10]F are obtained in flux‐synthesis experiments from a 1:4 molar mixture of Lu2O3 and SiO2, and RbF (sealed Pt tube, 1373 K, 2 h).
ChemInform Abstract: Cd4As2Br3.
Authors: Kars Mohammed , Roisnel Thierry , Dorcet Vincent , Rebbah Allaoua , Otero‐Diaz L. Carlos
Published: April 2014

Single crystals of Cd4As2Br3 are grown from a stoichiometric mixture of Cd, As, and CdBr2 (sealed quartz tube, 1073 K, 7 d).
ChemInform Abstract: Facile Fabrication of the Visible‐Light‐Driven Bi2WO6/BiOBr Composite with Enhanced Photocatalytic Activity.
Authors: Xia Jiexiang , Di Jun , Yin Sheng , Xu Hui , Zhang Jing , Xu Yuanguo , Xu Li , Li Huaming , Ji Mengxia
Published: April 2014

Bi2WO6/BiOBr composite photocatalysts with molar ratios of 1:2, 1:1, and 4:1 are prepared by a one‐pot solvothermal process involving Na2WO4, Bi(NO3)3, and 1‐hexadecyl‐3‐methylimidazolium bromide in ethylene glycol (autoclave, 140 °C, 24 h).
ChemInform Abstract: Synthesis of the Nanostructured Cd4GeS6 Photocatalysts and Their Visible‐Light‐Driven Photocatalytic Degradation Property.
Authors: Yang Shengxue , Yue Qu , Wu Fengmin , Huo Nengjie , Chen Zhanghui , Yang Juehan , Li Jingbo
Published: April 2014

The hydrothermal reaction of GeO2, Cd(O‐Ac)2, and Me‐(CH2)15NMe3Br (pH 8 adjusted with NaOH, autoclave, 100 °C, 24 h) yields Cd2Ge2O6, which is subsequently reduced via thiourea decomposition in a horizontal silica tube (400‐500 °C, 30 min) to produce nanostructured Cd4GeS6 with a direct band gap.
ChemInform Abstract: Syntheses, Structures, and Optical Properties of the Indium/Germanium Selenides Cs4In8GeSe16, CsInSe2, and CsInGeSe4.
Authors: Ward Matthew D. , Pozzi Eric A. , Van Duyne Richard P. , Ibers James A.
Published: April 2014

Compounds (V), (VI), and (VIII) are characterized by single crystal XRD and optical absorption spectroscopy.
ChemInform Abstract: Organocatalytic Asymmetric Michael Addition of 1,3‐Cyclohexanedione to Benzylidenemalonitriles.
Authors: Suh Chang Won , Kim Dae Young
Published: April 2014

A facile synthesis of chiral 2‐amino‐4H‐chromene derivatives with excellent enantioselectivity (up to 99% e.e.) via a binaphthyl‐modified squaramide‐catalyzed Michael addition of cyclohexanedione to benzylidenemalonitriles is developed.
ChemInform Abstract: One‐Pot Synthesis of Multiply Substituted Quinoline and Quinazoline Derivatives via [2 + 2 + 2] Cascade Annulation with Diaryliodonium Salts.
Authors: Wang Yong , Su Xiang , Chen Chao
Published: April 2014

A facile protocol is presented for the three‐component reaction of diaryliodonium salts with nitriles and alkynes to give a wide variety of quinoline derivatives.
ChemInform Abstract: Synthesis of 1,3‐Aminonaphthols by Diastereoselective Betti‐Type Aminoalkylation of Dihydroxy Naphthalenes; Diastereoselectivity, Absolute Configuration, and Application.
Authors: Marinova Maya , Kostova Kalina , Tzvetkova Pavleta , Tavlinova‐Kirilova Maya , Chimov Angel , Nikolova Rosica , Shivachev Boris , Dimitrov Vladimir
Published: April 2014

Solventless Betti‐type condensation of 2,6‐dihydroxynaphthalene with (S)‐phenethylamine with aromatic aldehydes is investigated together with the analogous reactions of 2‐hydroxynaphthalene.
ChemInform Abstract: Metal‐Free Enantioselective Hydroxyamination of Aldehydes with Nitrosocarbonyl Compounds Catalyzed by an Axially Chiral Amine.
Authors: Kano Taichi , Shirozu Fumitaka , Maruoka Keiji
Published: April 2014

The first example of a highly regio‐ and enantioselective hydroxyamination of aldehydes with in situ generated nitrosocarbonyl compounds from hydroxamic acid derivatives is realized by using TEMPO and BPO as the oxidants in the presence of a binaphthyl‐modified amine catalyst.
ChemInform Abstract: An Improved Procedure of Miyashita Protocol for the Preparation of Ureidomethylene Derivatives of 1,3‐Dicarbonyl Compounds.
Authors: Majee A. , Kundu S. K. , Santra S. , Hajra A.
Published: April 2014

The title compounds are obtained by condensation of various 1,3‐dicarbonyl compounds, urea, and trimethyl orthoformate using Zn(OTf)2 as catalyst under solvent‐free conditions.
ChemInform Abstract: 2‐Pyridonate Titanium Complexes for Chemoselectivity. Accessing Intramolecular Hydroaminoalkylation over Hydroamination.
Authors: Chong Eugene , Schafer Laurel L.
Published: April 2014

For the first time the intramolecular hydroamination is achieved selectively by using the title Ti‐complex.
ChemInform Abstract: Cryptand‐22 as an Efficient Ligand for the Palladium‐Catalyzed Mizoroki—Heck Reaction under Air.
Authors: Movassagh Barahman , Yasham Shahriar , Navidi Mozhgan
Published: April 2014

An air‐ and heat‐stable Pd‐cryptand‐complex is found to be a highly active catalyst for the coupling of aryl halides with olefins.
ChemInform Abstract: Synthesis of 3,5‐Disubstituted Cyclohex‐2‐en‐1‐one via a Five‐Step Domino Reaction Catalyzed by Secondary Amines: Formation of (E)‐α,β‐Unsaturated Methyl Ketones.
Authors: Ghorai Manas K. , Samanta Sauvik , Das Subhomoy
Published: April 2014

The reaction of aromatic aldehydes with acetone proceeds without any additional solvent in the presence of (L)‐proline as a catalyst followed by the heating to 45°C to afford 5‐substituted‐3‐methylcyclohexenones (III).
ChemInform Abstract: Morita—Baylis—Hillman Reaction of Benzaldehydes with Methyl Vinyl Ketone at Ambient Temperature Using Cross‐Linked Poly‐4‐vinylpyridine as a Solid Heterogeneous Base Catalyst in the Presence of Hydrogen Peroxide.
Authors: Patil Nitin R. , Kshirsagar Siddheshwar W. , Samant Shriniwas D.
Published: April 2014

The cross‐linked poly‐4‐vinylpyridine catalyst can be recovered by simple filtration and reused for successive three runs without any decrease in the product yields.
ChemInform Abstract: Laccase‐Catalyzed Synthesis of Catechol Thioethers by Reaction of Catechols with Thiols Using Air as an Oxidant.
Authors: Abdel‐Mohsen Heba T. , Conrad Juergen , Beifuss Uwe
Published: April 2014

A simple, efficient, and sustainable method for the synthesis of substituted catechol thioethers is presented.
ChemInform Abstract: Phosphine‐Promoted Cyclization of Dicyclopropenones.
Authors: Yang Jin‐Ming , Tang Xiang‐Ying , Wei Yin , Shi Min
Published: April 2014

Dicyclopropenones are selectively converted into indenediol or pentalenone derivatives under mild reaction conditions through different phosphine promoted intramolecular cyclization reactions.
ChemInform Abstract: Synthesis of Alkyl 3‐Chloroazetidine‐3‐carboxylates via Regioselective Ring Transformation of Alkyl 2‐(Bromomethyl)aziridine‐2‐carboxylates.
Authors: De Kimpe Norbert , Zukauskaite Asta , Mangelinckx Sven , Sackus Algirdas
Published: April 2014

4 Title compounds of type (III) are prepared via regioselective ring transformation of aziridine carboxylates (I).
ChemInform Abstract: Synthetic α‐(Aminomethyl)‐γ‐butyrolactones and Their anti‐Pancreatic Cancer Activities
Authors: Ramachandran P. Veeraraghavan , Nicponski Daniel R. , Nair Hari N.G. , Helppi Matthew A. , Gagare Pravin D. , Schmidt C. Max , Yip‐Schneider Michele T.
Published: April 2014

A variety of aminolactones such as (III) are synthesized which exhibit excellent activities against three pancreatic cancer cell lines
ChemInform Abstract: Facile Synthesis of 2‐Methylenecyclobutanones via Ca(OH)2‐Catalyzed Direct Condensation of Cyclobutanone with Aldehydes and (PhSe)2‐Catalyzed Baeyer—Villiger Oxidation to 4‐Methylenebutanolides.
Authors: Yu Lei , Wu Yulan , Cao Hongen , Zhang Xu , Shi Xinkang , Luan Jie , Chen Tian , Pan Yi , Xu Qing
Published: April 2014

The products are obtained as (E)‐isomers exclusively.
ChemInform Abstract: A General Route to 1,3′‐Bipyrroles.
Authors: Cheng Ping , Shao Wenjie , Clive Derrick L. J.
Published: April 2014

Several differently substituted 1,3‐bipyrroles are prepared by this method and subsequent modifications.
ChemInform Abstract: Method for the Preparation of 4‐Aryl‐3‐pyrrolin‐2‐ones and Their 5‐Bromo Derivatives
Authors: Vorona M. , Orlova N. , Kuznetsov E. , Vikainis S. , Liepinsh E. , Belyakov S. , Mishnev A. , Veinberg G.
Published: April 2014

via bromination‐dehydrobromination reactions of 1‐acetylpyrrolidone derivatives (I)
ChemInform Abstract: Nickel or Phenanthroline Mediated Intramolecular Arylation of sp3 C—H Bonds Using Aryl Halides.
Authors: Wertjes William C. , Wolfe Lydia C. , Waller Peter J. , Kalyani Dipannita
Published: April 2014

A radical mechanism is postulated.
ChemInform Abstract: Temporary Intramolecular Generation of Pyridine Carbenes in Metal‐Free Three‐Component C—H Bond Functionalization/Aryl‐Transfer Reactions.
Authors: Nawaz Faisal , Mohanan Kishor , Charles Laurence , Rajzmann Michel , Bonne Damien , Chuzel Olivier , Rodriguez Jean , Coquerel Yoann
Published: April 2014

The mechanism is examined in detail.
ChemInform Abstract: Intramolecular Diels—Alder Reaction for the Synthesis of Tetracyclic Carbazoles and Isocanthines.
Authors: Naik Prajakta N. , Khan Ayesha , Kusurkar Radhika S.
Published: April 2014

One‐pot intramolecular Diels—Alder reaction is efficiently used as a new route for the synthesis of tetracyclic carbazoles (II).
ChemInform Abstract: Room Temperature Synthesis of Glycerol Carbonate Catalyzed by N‐Heterocyclic Carbenes.
Authors: Hervert Britni , McCarthy Patrick D. , Palencia Hector
Published: April 2014

A series of different NHC precursors is screened for the synthesis of glycerol carbonate from glycerol and dimethyl carbonate.
ChemInform Abstract: Improved Synthesis and Characterization of 2‐(Dinitromethylene)‐1‐nitro‐1,3‐diazacyclopentane
Authors: Zihui Meng , et al. et al.
Published: April 2014

synthesis, thermal stability and sensitivity as well as detonation performance of title compound (VI)
ChemInform Abstract: Synthesis of Some New Pyrazole‐Based 1,3‐Thiazoles and 1,3,4‐Thiadiazoles as Anticancer Agents.
Authors: Dawood Kamal M. , Eldebss Taha M.A. , El‐Zahabi Heba S.A. , Yousef Mahmoud H. , Metz Peter
Published: April 2014

Phenylthiourea derivative (III) is used as building block for the synthesis of several title compounds of type (V), (VII), (IX), and (XI).
ChemInform Abstract: Combined Intra‐Intermolecular Criss‐Cross Cycloaddition Reactions Leading to perfluoroalkylated Fused Tricyclic Nitrogen Heterocycles.
Authors: Harnisch Francois‐Xavier , Galeta Juraj , Harakat Dominique , Potacek Milan , Bouillon Jean‐Philippe
Published: April 2014

A variety of tri‐ and bicyclic nitrogen‐containing heterocyclic compounds are constructed.
ChemInform Abstract: Synthesis and Biological Evaluation of Nimesulide Based New Class of Triazole Derivatives as Potential PDE4B Inhibitors Against Cancer Cells.
Authors: Mareddy Jyoti , Nallapati Suresh Babu , Anireddy Jayasree , Devi Yumnam Priyadarshini , Mangamoori Lakshmi Narasu , Kapavarapu Ravikumar , Pal Sarbani
Published: April 2014

Some novel 1,2,3‐triazole derivatives (V) (9 examples) derived from the non‐steroidal antiinflammatory drug nimesulide are designed and synthesized via a multi‐step sequence involving a copper‐catalyzed azide‐alkyne cycloaddition as key step.
ChemInform Abstract: Microwave Assisted Synthesis of Naphthopyrans Catalyzed by Silica Supported Fluoroboric Acid as a New Class of Non Purine Xanthine Oxidase Inhibitors.
Authors: Sharma Sahil , Sharma Kirti , Ojha Ritu , Kumar Dinesh , Singh Gagandip , Nepali Kunal , Bedi P. M. S.
Published: April 2014

The screening of the in vitro xanthine oxidase inhibitory potential of the title compounds (IV) shows that compound (IVj) is a potential inhibitor of xanthine oxidase.
ChemInform Abstract: Synthesis and Antimicrobial Activity of Some Novel Hydrazide, Benzochromenone, Dihydropyridine, Pyrrole, Thiazole and Thiophene Derivatives.
Authors: Refat Hala M. , Fadda A. A.
Published: April 2014

Hydrazide (I) is used as starting material to synthesize a variety of heterocyclic compounds which are screened for their antimicrobial activity.
ChemInform Abstract: One‐Pot Synthesis of 3‐Methylflavones and Their Transformation into (E)‐3‐Styrylflavones via Wittig Reactions.
Authors: Rocha Djenisa H. A. , Pinto Diana C. G. A. , Silva Artur M. S.
Published: April 2014

A convenient one‐pot protocol is developed for the synthesis of 3‐methylflavones (III) which are useful precursors for the preparation of (E)‐3‐styrylflavones (VIII) by Wittig reaction.
ChemInform Abstract: Synthesis, Anticonvulsant and Antiinflammatory Studies of New 1,4‐Dihydropyridin‐4‐yl‐phenoxyacetohydrazones.
Authors: Ulloora Shrikanth , Shabaraya Ramakrishna , Ranganathan Rajesh , Adhikari Airody Vasudeva
Published: April 2014

It is found, that compounds with electron donating groups display anticonvulsant activity.
ChemInform Abstract: Iridium‐Catalyzed Asymmetric Hydrogenation of Substituted Pyridines.
Authors: Cadu Alban , Upadhyay Puspesh K. , Andersson Pher G.
Published: April 2014

In the first step, the aromaticity of the pyridine substrates is weakened by forming N‐iminopyridium ylides.
ChemInform Abstract: Conventional as well as Microwave Assisted Synthesis and Microbial Effect of Some New Acrylamides.
Authors: Kaur Sandeep , Sharma S. , Kaur Jasvir , Sharma Poonam
Published: April 2014

New acrylamides (III) and (V) possess poor antimicrobial activities and are ineffective growth inhibitors for fungis and yeasts.
ChemInform Abstract: I2/O2‐Promoted Domino Reactions of Isatins or 3‐Hydroxyindolin‐2‐one Derivatives with Enaminones.
Authors: Hao Wen‐Juan , Wang Jian‐Qiang , Xu Xiao‐Ping , Zhang Shi‐Lei , Wang Shun‐Yi , Ji Shun‐Jun
Published: April 2014

The title reaction of isatine derivatives (II) using iodine as reagent results in the formation of functionalized tetracyclic pyrrolo[2,3,4‐kl]acridine derivatives (III) through domino cyclization and C—H oxidation.
ChemInform Abstract: Copper‐Catalyzed Enantioselective Inverse Electron‐Demand Hetero‐Diels—Alder Reactions of Diazadienes with Enol Ethers: Efficient Synthesis of Chiral Pyridazines.
Authors: Gao Shuang , Chen Jia‐Rong , Hu Xiao‐Qiang , Cheng Hong‐Gang , Lu Liang‐Qiu , Xiao Wen‐Jing
Published: April 2014

A chiral copper triflate/bisoxazoline complex catalyzes the reaction of in situ generated 1,2‐diaza‐1,3‐dienes with enol ethers, methoxy styrene or N‐vinylcarbazole.
ChemInform Abstract: Synthesis and Formylation of Substituted 2‐Spiropyrimidin‐4‐ones and Related Compounds.
Authors: Markov V. I. , Farat O. K. , Varenichenko S. A. , Velikaya E. V. , Zubatyuk R. I. , Shishkin O. V.
Published: April 2014

Cyclohexanone‐2‐carboxamide is efficiently used as key substrate in the preparation of pyrimidin‐4‐ones and oxazines.
ChemInform Abstract: New Nucleophilic Rearrangement in the Mechanism of the Three‐Component Domino Cyclization Affording Fluoroalkylated (Pyrrolo)quinazolines.
Authors: Paleta Oldrich , Dolensky Bohumil , Palecek Jiri , Kvicala Jaroslav
Published: April 2014

It is proved that the cyclization proceeds via a three‐component reaction and not as the also possible four‐component reaction.
ChemInform Abstract: C2‐Symmetric Homobimetallic Zinc Complexes as Chiral Catalysts for the Highly Enantioselective Hydrophosphonylation of Aldehydes.
Authors: Sun Lin , Guo Qi‐Peng , Li Xiao , Zhang Lei , Li Yu‐Yan , Da Chao‐Shan
Published: April 2014

Sterically congested aromatic aldehydes (Ic) afford the products with the best enantioselectivities.
ChemInform Abstract: Silicon‐Tethered Intramolecular [5 + 2] Oxidopyrylium‐Based Cycloaddition and Reductive Cleavage of Ether Bridge: Synthetic Studies Toward Arteminolides.
Authors: Sohn Jeong‐Hun
Published: April 2014

Common intermediates to biogenic precursors of arteminolides are synthesized via a key silicon‐tethered intramolecular [5 + 2]oxidopyrylium cycloaddition reaction.
ChemInform Abstract: Three New 24‐Nortriterpenoids from the Roots of Ilex asprella
Authors: Jiang Kun , Bai Jun‐Qi , Chang Jun , Tan Jun‐Jie , Qu Shi‐Jin , Luo Hong‐Feng , Tan Chang‐Heng , Zhu Da‐Yuan
Published: April 2014

isolation and structure of new terpenoids, asprellols A—C (Ib, II, Ia, resp.)
ChemInform Abstract: Two Novel Abietane Diterpenoids from Illicium wardii A.C.Sm
Authors: Gao Yan‐Ping , Shen Yun‐Heng , Zhang Wei‐Dong
Published: April 2014

isolation, structure and cytotoxicity of two novel abietane diterpenoids, wardinol A (I) and B (II), along with five known diterpenoids
ChemInform Abstract: One‐Pot Synthesis of D‐Glucosamine and Chitobiosyl Building Blocks Catalyzed by Triflic Acid on Molecular Sieves.
Authors: Despras Guillaume , Urban Dominique , Vauzeilles Boris , Beau Jean‐Marie
Published: April 2014

The method is developed to prepare the building blocks for the construction of oligosaccharides.
ChemInform Abstract: Four Ardeemin Analogues from Endophytic Aspergillus fumigatus SPS‐02 and Their Reversal Effects on Multidrug‐Resistant Tumor Cells.
Authors: Zhang Hua‐Wei , Ying Chen , Tang Yi‐Fei
Published: April 2014

Four ardeemin analogues (I)—(III) are isolated and their reversal effects on multidrug‐resistant tumor cell lines are evaluated.
ChemInform Abstract: A Novel Synthesis of Antiviral Nucleoside Phosphoramidate and Thiophosphoramidate Prodrugs via Nucleoside H‐Phosphonamidates.
Authors: Sun Qi , Li Xingjian , Gong Shanshan , Liu Gang , Shen Liang , Peng Liang
Published: April 2014

A series of novel H‐phosphonamidates (III) is synthesized by reaction of stavudine (I) with PCl3 followed by coupling with amino acid esters (II) and final subsequent hydrolysis step.
ChemInform Abstract: Suberosanones A—C, New Metabolites Possessing Cyclopentenone System from the South China Sea Gorgonian Coral Subergorgia suberosa.
Authors: Zhang Jun , Liang Yan , Li Liang‐Chun , Xu Shi‐Hai
Published: April 2014

The bicyclic latones, suberosanones A (I) and B (II), and the tricyclic cyclopentenone derivative, suberosanone C (III) show neither antifouling activity against Balanus amphitrite larvae settlement nor antibacterial activity against a panel of bacterial strains.
ChemInform Abstract: Cytotoxic Polyphenols from a Sponge‐Associated Fungus Aspergillus versicolor Hmp‐48.
Authors: Wang Xiao , Mou Yanhua , Hu Jiangchun , Wang Nan , Zhao Li , Liu Li , Wang Shujin , Meng Dali
Published: April 2014

Three new compounds (I)—(III) are isolated together with six known compounds.
ChemInform Abstract: Characterization of Magnetoelastic Coupling in Ferromagnetic Shape Memory Alloys Using Neutron Diffraction
Authors: Pramanick Abhijit , Wang Xun‐Li
Published: April 2014

Review: 58 refs.
ChemInform Abstract: Coloring, Distortions, and Puckering in Selected Intermetallic Structures from the Perspective of Group‐Subgroup Relations
Authors: Poettgen Rainer
Published: April 2014

Review: 167 refs.
ChemInform Abstract: Glycerol Based Solvents: Synthesis, Properties and Applications
Authors: Garcia Jose I. , Garcia‐Marin Hector , Pires Elisabet
Published: April 2014

Review: 216 refs.
ChemInform Abstract: Quinones as Dienophiles in the Diels—Alder Reaction: History and Applications in Total Synthesis
Authors: Nawrat Christopher C. , Moody Christopher J.
Published: April 2014

Review: [98 refs.
ChemInform Abstract: Synthesis of Heterocycles via Transition‐Metal‐Catalyzed Hydroarylation of Alkynes
Authors: Yamamoto Yoshihiko
Published: April 2014

Review: 102 refs.
ChemInform Abstract: Utility of 5‐Amino‐1‐phenyl‐1H‐pyrazole‐4‐carboxamide in Heterocyclic Synthesis
Authors: El‐Mekabaty Ahmed
Published: April 2014

Review: 72 refs.
ChemInform Abstract: α‐Oligofurans: An Emerging Class of Conjugated Oligomers for Organic Electronics
Authors: Gidron Ori , Bendikov Michael
Published: April 2014

Review: [synthesis, molecular properties, chemical reactivity, and use of long oligofurans in electronic devices; 63 refs.
ChemInform Abstract: Toward a Symphony of Reactivity: Cascades Involving Catalysis and Sigmatropic Rearrangements
Authors: Jones Amanda C. , May Jeremy A. , Sarpong Richmond , Stoltz Brian M.
Published: April 2014

Review: [165 refs.
ChemInform Abstract: Self‐Assembled Coordination Cages Based on Banana‐Shaped Ligands
Authors: Han Muxin , Engelhard David M. , Clever Guido H.
Published: April 2014

Review: [54 refs.
ChemInform Abstract: Carbon Dioxide Incorporation into Alkyne Compounds Mediated by Silver Catalysts
Authors: Kikuchi Satoshi , Yamada Tohru
Published: April 2014

Review: [27 refs.
ChemInform Abstract: Asymmetric Nitrene Transfer Reactions: Sulfimidation, Aziridination and C—H Amination Using Azide Compounds as Nitrene Precursors
Authors: Uchida Tatsuya , Katsuki Tsutomu
Published: April 2014

Review: [39 refs.
ChemInform Abstract: Asymmetric Mukaiyama Aldol Reactions Using Chiral Diamine‐Coordinated Sn(II) Triflate: Development and Application to Natural Product Synthesis
Authors: Shiina Isamu
Published: April 2014

Review: [62 refs.
ChemInform Abstract: Cu‐Mediated Enamide Formation in the Total Synthesis of Complex Peptide Natural Products
Authors: Kuranaga Takefumi , Sesoko Yusuke , Inoue Masayuki
Published: April 2014

Review: 131 refs.
ChemInform Abstract: Introduction to Liquid Crystalline Phases
Authors: Lydon John E.
Published: April 2014

Review: 9 refs.
ChemInform Abstract: Recent Progress in MMX‐Chain Complexes: Unique Electronic States and Characteristics Developed by Introducing Binary Countercations
Authors: Iguchi Hiroaki , Takaishi Shinya , Yamashita Masahiro
Published: April 2014

Review: [57 refs.
ChemInform Abstract: Angle‐Resolved Valence Shell Photoelectron Spectroscopy of Neutral Nanosized Molecular Aggregates
Authors: Signorell Ruth , Yoder Bruce L. , West Adam H. C. , Ferreiro Jorge J. , Saak Clara‐Magdalena
Published: April 2014

Review: 67 refs.
ChemInform Abstract: Flexizymes‐Facilitated Genetic Code Reprogramming Leading to the Discovery of Drug‐Like Peptides
Authors: Terasaka Naohiro , Suga Hiroaki
Published: April 2014

Review: 76 refs.
ChemInform Abstract: A Review of Non‐nucleoside Antihepatitis B Virus Agents
Authors: Zhang Fan , Wang Gang
Published: April 2014

Review: 135 refs.
ChemInform Abstract: Morphology‐Dependent Nanocatalysts: Rod‐Shaped Oxides
Authors: Li Yong , Shen Wenjie
Published: April 2014

Review: 411 refs.
ChemInform Abstract: Recent Advances in Magic‐Angle Spinning Solid‐State NMR of Proteins
Authors: Ladizhansky Vladimir
Published: April 2014

Review: 228 refs.
ChemInform Abstract: Solid‐State NMR for Bacterial Biofilms
Authors: Reichhardt Courtney , Cegelski Lynette
Published: April 2014

Review: 67 refs.
Extension of the Design Procedure for Mixers and Application on a Propeller‐Viscosimeter
Authors: Reviol Thomas , Kluck Stefan , Böhle Martin
Published: April 2014

Die Auslegung von Rührwerken zum Rühren nichtnewtonscher Medien basiert vielfach auf Korrelationsmethoden, die einen Zusammenhang zwischen dem Leistungsbedarf in Newtonschen und nichtnewtonschen Medien herstellen. Dazu ist die Kenntnis der Fließfunktion der nichtnewtonschen Medien erforderlich. Für feststoffbeladene Flüssigkeiten ist diese Funktion häufig nicht zu ermitteln und die Methoden können nicht verwendet werden. Hier wird eine Methode dargelegt, die die Ermittlung der Fließfunktion feststoffbeladener Medien mit einem Propellerviskosimeter ermöglicht.
The Invasion of Spartina alterniflora Alters Carbon Dynamics in China's Yancheng Natural Reserve
Authors: Zhou Changfang , Zhao Hui , Sun Zhiyi , Zhou Luxian , Fang Chao , Xiao Yan , Deng Zifa , Zhi Yingbiao , Zhao Yongqiang , An Shuqing
Published: April 2014

Ecosystem processes are tightly linked to the structure and functioning of plant communities. Large‐scale invasion of Spartina alterniflora on unvegetated intertidal mudflats is expected to reduce atmospheric CO2 through an increase in the carbon storage of coastal ecosystem. In China's Yancheng Natural Reserve, plant carbon storage (PCS), soil total organic carbon storage (SCS), as well as CO2 and CH4 fluxes, were compared between Spartina invaded marsh and adjacent native marshes. PCS of Spartina marsh was 16.9 and 1.4 times higher compared to those of Suaeda and Phragmites marshes, whereas relatively larger aboveground PCS but smaller belowground PCS were found in the newly settled seaward margin of the Spartina marsh. SCS in Spartina marsh was also 1.5 times higher than that in unvegetated mudflat. Although Spartina vegetation assimilated a substantial amount of CO2, mass emission of CH4 from the invaded marsh was also noticed, especially in summer, it was 9–16 times higher than those from native marshes. Our study indicates that instead of CO2 being simply incorporated into PCS and SCS, carbon dynamics following Spartina invasion are more complicated. Detailed studies of CH4 emissions are needed before ascertaining whether, and to what degree, the invasion of S. alterniflora may affect the global warming process.
Design of reduced complexity feedback precoding for MIMO‐OFDM
Authors: Ghirmai Tadesse
Published: April 2014

Beamforming technique is applied to significantly increase the performance of a MIMO system, if the channel information (CI) of the communication system is available at the transmitter. For the transmitter to obtain the entire CI, however, a considerable reverse‐link bandwidth is required. To save the bandwidth, a limited‐rate closed‐loop system, therefore, uses a predetermined codebook which is derived from the CI. The codebook consists of a finite number of precoders out of which the index of the best one is transmitted from the receiver to the transmitter using only a few bits saving substantial bandwidth. However, the amount of bits that need to be fed back can still be significantly large for MIMO‐OFDM systems when the precoding matrix index (PMI) for each subcarrier should be transmitted. Such per‐subcarrier precoding scheme has high feedback overhead and also incurs huge computational cost to determine the best PMI for each subcarrier. We, therefore, propose a per‐band precoding scheme that precodes a band (group) of subcarriers by only one precoder. More importantly, we develop, for the proposed per‐band scheme, reduced‐complexity precoding selection methods that lead to the design of efficient receivers. The effectiveness of the proposed scheme is investigated through computer simulations. Copyright © 2014 John Wiley & Sons, Ltd.
Effect of tumor cells and tumor microenvironment on NK‐cell function
Authors: Vitale Massimo , Cantoni Claudia , Pietra Gabriella , Mingari Maria Cristina , Moretta Lorenzo
Published: April 2014

The ability of tumors to manage an immune‐mediated attack has been recently included in the “next generation” of cancer hallmarks. In solid tumors, the microenvironment that is generated during the first steps of tumor development has a pivotal role in immune regulation. An intricate net of cross‐interactions occurring between tumor components, stromal cells, and resident or recruited immune cells skews the possible acute inflammatory response toward an aberrant ineffective chronic inflammatory status that favors the evasion from the host's defenses. Natural killer (NK) cells have powerful cytotoxic activity, but their activity may be eluded by the tumor microenvironment. Immunosubversion, immunoediting or immunoselection of poorly immunogenic tumor cells and interference with tumor infiltration play a major role in evading NK‐cell responses to tumors. Tumor cells, tumor‐associated fibroblasts and tumor‐induced aberrant immune cells (i.e. tolerogenic or suppressive macrophages, dendritic cells (DCs) and T cells) can interfere with NK‐cell activation pathways or the complex receptor array that regulate NK‐cell activation and antitumor activity. Thus, the definition of tumor microenvironment‐related immunosuppressive factors, along with the identification of new classes of tissue‐residing NK‐like innate lymphoid cells, represent key issues to design effective NK‐cell‐based therapies of solid tumors.
Development of Metal Cyanurates: The Example of Barium Cyanurate (BCY)
Authors: Kalmutzki Markus , Ströbele Markus , Bettinger Holger F. , Meyer H.‐Jürgen
Published: April 2014

Metal cyanurate compounds were prepared by means of solid‐state metathesis reactions between a metal halide and an alkali cyanurate. Following this procedure, a mixture of BaCl2 and K(OCN) was heated in a fused silica tube at 575 °C to yield highly crystalline barium cyanurate. This reaction was analyzed by differential scanning calorimetry (DSC) measurements and involves a cyclotrimerization of cyanate ions to yield the cyclic cyanurate (O3C3N3)3– ion. The crystal structure of Ba3(O3C3N3)2 was refined by single‐crystal X‐ray diffraction, and the presence of cyanurate was verified by infrared spectroscopy.
Star‐Shaped Quaternary Alkylammonium Polyhedral Oligomeric Silsesquioxane Ionic Liquids
Authors: Manickam Sundar , Cardiano Paola , Mineo Placido G. , Lo Schiavo Sandra
Published: April 2014

New star‐shaped quaternary ammonium (QA) polyhedral oligomeric silsesquioxane (POSS) salts based on octakis(tetraalkylammonium) POSS cations bearing alkyl chains of different length (methyl, n‐butyl, and n‐octyl) and differently polarizable anions [iodide, bis(trifluoromethylsulfonyl)imide, and ibuprofen] have been synthesized and characterized. Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) investigations show that the nature of the cation plays a key role in determining the thermal behavior of QA POSS salts featuring the longest alkyl chains, whereas the influence exerted by anions becomes relevant for those bearing short and medium alkyl chains. All the QA POSS salts display amorphous behavior and, with the exception of octakis(trimethylpropylammonium)‐ and octakis(tri‐n‐butylpropylammonium)octasilsesquioxane iodide, may be classified as ionic liquids. Dynamic contact‐angle studies reveal their hydrophilic attitude owing to the preferential orientation of the tetraalkylammonium groups at the film–water interface.
Dual‐Layered Quasi‐Two‐Dimensional Organic Conductors with Presumable Incoherent Electron Transport
Authors: Lyubovskaya Rimma , Zhilyaeva Elena , Shilov Gena , Audouard Alain , Vignolles David , Canadell Enric , Pesotskii Sergei , Lyubovskii Rustem
Published: April 2014

We have prepared a series of BEDT‐TTF or BETS‐based radical‐cation salts (D)4MBr4(C6H6–nXn) with tetrahedral anions [MIIBr4]2– (D = BETS, BEDT‐TTF; X = F, Cl, Br; n = 1, 2). The salts (D)4MBr4(C6H6–nXn) are characterized by the different structures of neighboring conducting layers, structural phase transitions, and different types of conductivity, namely, metallic and semiconducting, along and across the conducting layers, respectively. The Fermi surface of the metallic layer of (D)4MBr4(C6H6–nXn) with alternating crystallographically different conducting layers (dual‐layered salts) provides a roadmap for interpreting the transport properties of quasi‐two‐dimensional organic conductors. This review reports on the structures of these compounds, the effect of MBr4 anions and solvent on the occurrence of phase transitions, different Fermi surface topologies in connection with the different structures of neighboring conducting layers, and the possibility of the incoherent transport of charge carriers in such systems.
BODIPY Fluorophore Toolkit for Probing Chemical Reactivity and for Tagging Reactive Functional Groups
Authors: Hensle Eva M. , Esfandiari N. Melody , Lim Sung‐Gon , Blum Suzanne A.
Published: April 2014

The photophysical and synthetic studies of new tether‐functionalized boron dipyrromethene (BODIPY) fluorophores as probes for chemical reactions are described. These compounds differ from typically reported probes in that they provide a way to tag and indicate chemical reactions without chemical transformation of the BODIPY core itself; instead the dyes are spectators. The introduction and modification of the tether has expanded the available chemistry and yet these new BODIPY derivatives have similar photophysical properties to their parent substrates. As a result of the chemistry enabled by these probes, a single step of a multistep metal‐catalyzed reaction was revealed by a change in the fluorescence resonance energy transfer (FRET) signal. The fundamental knowledge of quantum yield, FRET efficiencies, and reagent compatibility is critical to enabling the broader application of fluorescent probes to study chemical reaction mechanisms by cutting‐edge microscopy techniques.
Palladium‐Catalyzed Allenylation/Intramolecular Diels–Alder Reaction of Furans with Propargyl Carboxylates for the Synthesis of Polycyclic Compounds
Authors: Wang Chengyu , Kong Lingkai , Li Yanli , Li Yanzhong
Published: April 2014

A highly efficient palladium‐catalyzed cascade reaction of propargyl carboxylates bearing a furanyl group with organoborons was developed. This methodology offers rapid access to polycyclic Diels–Alder cycloadducts in good to high yields. The thus‐formed oxygen‐bridged products were further converted into anthracene derivatives in a chemoselective manner under mild conditions.
Combined Ugi‐4CR/CuAAC Approach to Triazole‐Based Neoglycolipids
Authors: Pérez‐Labrada Karell , Brouard Ignacio , Méndez Inmaculada , Pérez Carlos S. , Gavín José A. , Rivera Daniel G.
Published: April 2014

New glycolipids that feature a carbohydrate/triazole/lipid hybrid architecture were readily produced by a combined multicomponent/click approach. The process comprises the use of the Ugi four‐component reaction to construct double‐lipidic scaffolds that have either alkyne or azide functionalities followed by conjugation to mono‐ and trisaccharides through a CuI‐catalyzed 1,3‐dipolar cycloaddition (click) process. The high chemical efficiency and feasibility of the overall procedure provides new opportunities for the rapid creation and biological screening of libraries of this unique class of Ugi/click glycolipids. Dynamic NMR experiments were performed to evaluate the free energy of activation related to the isomerization of the cis/trans amide bond in these compounds. This is the first time that such multicomponent and cycloaddition processes have been combined for the synthesis of glycolipids.
Enantioselective Organocatalytic Conjugate Addition of Alkenes to α,β‐Enones
Authors: Cui Lingyun , Zhang Long , Luo Sanzhong , Cheng Jin‐Pei
Published: April 2014

We report the first example of the enantioselective conjugate addition of alkenes (aromatic enamines) to enones catalyzed by chiral primary amines. The reactions encompass a plethora of α,β‐enones including difficult α‐substituted vinyl ketones to give vinylation adducts in high yields with good enantioselectivity. The methodology is of synthetic potential in accessing chiral functional materials.
Gold nanoparticles electroporation enhanced polyplex delivery to mammalian cells
Authors: Huang Shuyan , Deshmukh Harshavardhan , Rajagopalan Kartik Kumar , Wang Shengnian
Published: April 2014

Nonviral methods have been explored as the replacement of viral systems for their low toxicity and immunogenicity. However, they have yet to reach levels competitive to their viral counterparts. In this paper, we combined physical and chemical methods to improve the performance of polyplex delivery of DNA and small interfering RNA. Specifically, gold nanoparticles (AuNPs) were used to carry polyplex (a chemical approach) while electroporation (a physical approach) was applied for fast and direct cytosolic delivery. In this hybrid approach, cationic polymer molecules condense and/or protect genetic probes as usual while AuNPs help fix polycations to reduce their cytotoxicity and promote the transfection efficiency of electroporation. AuNPs of various sizes were first coated with polyethylenimine, which were further conjugated with DNA plasmids or small interfering RNA molecules to form AuNPs‐polyplex. The hybrid nanoparticles were then mixed with cells and introduced into cell cytosol by electroporation. The delivery efficiency was evaluated with both model anchor cells (i.e., NIH/3T3) and suspension cells (i.e., K562), together with their impact on cell viability. We found that AuNP‐polyplex showed 1.5∼2 folds improvement on the transfection efficiency with no significant increase of toxicity when compared to free plasmid delivery by electroporation alone. Such a combination of physical and chemical delivery concept may stimulate further exploration in the delivery of various therapeutic materials for both in vitro and in vivo applications.
Professional Resources
Authors: Haddix Marcelle M.
Published: April 2014

This column provides reviews of adolescent and adult professional resources and provides a valuable resource for professional resource selection in‐ and outside the classroom.
Visual and Digital Texts
Authors: Botzakis Stergios
Published: April 2014

This column provides reviews of adolescent and adult visual and digital texts and provides a valuable resource for visual and digital text selection in‐ and outside the classroom.
The Implications of Disciplinary Literacy
Authors: Shanahan Cynthia , Shanahan Timothy
Published: April 2014

During the past several years, middle schools and high schools have been shifting their attention to disciplinary literacy. The Common Core State Standards are explicit in requiring teachers to teach the literacy of science, literature, and history, and even states that are not part of Common Core (such as Texas) are making this shift as well. This e‐mail discussion between Cynthia and Timothy Shanahan explores the implications of disciplinary literacy for motivation, assessment, teacher education, and professional development.
Using Disciplinary Literacies to Enhance Adolescents' Engineering Design Activity
Authors: Wilson Amy Alexandra , Smith Emma , Householder Daniel L.
Published: April 2014

This comparative case study describes the literacy practices of two groups of adolescents as they sought to solve authentic problems through engineering design processes. Three types of data were collected as the groups addressed these problems: video‐ and audio‐recordings of their conversations; adolescent‐generated products; and pre‐ and post‐challenge interviews. The authors used existing coding schemes of engineering design activity to identify when the adolescents enacted different stages of engineering design, as well as a modified form of constant comparative analysis to identify the literacy practices that corresponded with each stage. The analysis indicates that applications of literacy practices at each stage of the engineering design process enhanced the adolescents' overall design activity, whereas the absence of literacy practices often impeded the viability of their final designs. The authors suggest implications for high school engineering and science teachers who seek to enhance their students' design activity through literacy instruction.
Character Journaling Through Social Networks
Authors: White John Wesley , Hungerford‐Kresser Holly
Published: April 2014

Countering reactionary attempts to ban social media from schools is a strong research based rationale for bringing social media into the literacy classroom. When used as a medium to explore literature—or more specifically for interactive character journaling—this medium exemplifies how meaning is created by individuals' interactions with texts, by the prior knowledge they bring to their reading, and by the negotiation of meaning by participants in this digital “third space.” Used this way, social media can scaffold reading, promote critical discussions about texts, prompt basic sociohistorical research, and engage students in examining discourse, and provide an authentic venue for students to practice code‐switching. This study highlights that social media is anything but an educational distraction; rather, when used appropriately it can serve as an engaging and interactive foray into socially‐mediated literacy and constructivist learning.
Moving of fullerene between potential wells in the external icosahedral shell
Authors: Glukhova Olga E. , Kolesnikova Anna S. , Slepchenkov Michael M. , Shunaev Vladislav V.
Published: April 2014

The results of the theoretical investigation of the behavior of fullerenes C20 and C60 inside the icosahedral external shell on example of carbon nanoclusters, C20@С240 and C60@С540, are presented in this article. The multiwell potential of interaction between fullerenes in investigated nanoclusters is calculated to reveal the regularities of moving for internal fullerene in the field of holding potential of the external shell. The possible variants of fullerenes C20 and C60 moving between the potential wells are predicted on base of topology data of the fullerenes relative positioning in nanoparticle and analysis of relief of the energy surface of interaction between fullerenes. The formulated prediction is confirmed by the data of the numerical experiment. The investigation of two‐shell fullerenes allows to conclude that the light fullerene С20 will probably jump between the potential wells already at small temperatures (139–400 K) if the external shell is slightly bigger. © 2014 Wiley Periodicals, Inc.
The association of proton pump inhibitors and hypomagnesemia in the community setting
Authors: Markovits Noa , Loebstein Ronen , Halkin Hillel , Bialik Martin , Landes‐Westerman Janet , Lomnicky Joseph , Kurnik Daniel
Published: April 2014

Evidence for the association between hypomagnesemia and proton pump inhibitors (PPIs), highlighted by the 2011 FDA Drug Safety Communication, rests mainly on studies in hospitalized patients. Our objectives were to determine the prevalence of hypomagnesemia and its association with PPIs in the community setting. We performed a retrospective cross‐sectional analysis of a large health maintenance organization administrative database, including ambulatory patients with ≥1 serum magnesium concentrations between 2008 and 2011, the lowest referred to as “index magnesium.” In cases with any (index magnesium ≤0.7 mmol/L) or severe (≤0.55 mmol/L) hypomagnesemia, we analyzed (vs. controls, >0.7 mmol/L) the association with PPI or H2‐blocker use during the 4–12 months preceding the index magnesium by logistic regression analysis, adjusting for confounders. Among 95,205 subjects, 5,696 (6.0%) had any hypomagnesemia, which was severe in 454 (0.5%), with twofold higher prevalences in those with established risk factors. PPI use during the 4 months preceding the index magnesium was more common in cases of any hypomagnesemia (adjusted OR = 1.66; 95% CI, 1.55–1.78) and severe hypomagnesemia (adjusted OR = 3.79; 2.99–4.82) than in controls without acid suppression. Hypomagnesemia remained significantly associated with PPI use when using H2‐blocker‐users as reference (adjusted OR = 1.25 [P = 0.003] and 2.65 [P < 0.001] for any and severe hypomagnesemia, respectively). We conclude that hypomagnesemia is associated with PPI use in ambulatory patients.
Synthesis of Indolines via a SmI2 Promoted Domino Nitro Reduction–Intramolecular aza‐Michael Reaction
Authors: Ferreira Ramos Josierika A. , Araújo Carolina S. , Nagem Tanus J. , Taylor Jason G.
Published: April 2014

A simple and straightforward synthesis of substituted indolines based on a domino nitro reduction intramolecular aza‐Michael reaction is described. The reaction employs Samarium diiodide under mild conditions for the addition of dibromoacetic acid to substituted 2‐(2‐nitrophenyl) acetaldehyde derivatives and their subsequent cyclization upon nitro group reduction to provide corresponding indoline heterocycles in good yields. This “one pot” strategy also permitted the expeditious synthesis of a 1,2,3,4‐tetrahydroquinoline, whereas the seven‐membered 2,3,4,5‐tetrahydrobenzoazepines compounds were not formed under these reaction conditions.
Age‐related differences in diffusion tensor indices and fiber architecture in the medial and lateral gastrocnemius
Authors: Sinha Usha , Csapo Robert , Malis Vadim , Xue Yanjie , Sinha Shantanu
Published: April 2014

Purpose

To investigate age related changes in diffusion tensor indices and fiber architecture of the medial and lateral gastrocnemius (MG and LG) muscles using diffusion tensor imaging (DTI).

Materials and Methods

The lower leg of five young and five senior subjects was scanned at 3 Tesla and DTI indices extracted using three methods: region of interest, histogram, and tract based. Tracked fibers were automatically edited to ensure physiologically relevant tracks. Pennation angles were measured with respect to the deep and superficial aponeuroses of both muscles.

Results

The three methods provided internally consistent measures of the DTI indices (correlation coefficient in the range of 0.90–0.99). The primary, secondary, and tertiary eigenvalues in the MG and LG increased significantly in the senior cohort (P < 0.05), while the small increase in fractional anisotropy with age was not significant (MG/LG: P = 0.39/0.85; 95% confidence interval: [−0.059/−0.056, 0.116/0.064]). Fiber lengths of MG fibers originating distally were significantly decreased in seniors (P < 0.05) while pennation angles decreased with age in the MG and LG but this was not significant.

Conclusion

Fiber atrophy and increased fibrosis have opposing effects on the diffusion indices resulting in a complicated dependence with aging. Fiber architectural changes could play a role in determining aging muscle function. J. Magn. Reson. Imaging 2015;41:941–953. © 2014 Wiley Periodicals, Inc.