bluuebunny/crossref_metadata_2025 huggingface dataset:
Monodisperse crosslinked pHEMA particle‐supported chiral Mn(III)salen catalyst for asymmetric epoxidation of olefin
Authors: Wei Saili , Tang Yuhai , Zhao Ruiqin , Xu Guojin , Zheng Yuansuo
Published: February 2012

Monodisperse crosslinked poly(hydroxyethyl methacrylate) particles (pHEMA) were synthesized for immobilization of the chiral Mn(III)salen homogeneous catalyst by axial coordination. The pHEMA‐Mn(III)salen catalyst was subsequently characterized by FT‐IR, UV and scanning electron microscopy. The results showed that, the heterogeneous Mn(III)salen catalysts also exhibited high activity and enantioselectivity compared to the homogeneous catalyst for the disubstituted cyclic indene and 6‐cyano‐2,2‐dimethylchromene. Moreover, the catalysts were easily separated from the reaction systems and could be renewed several times without significant loss of catalytic activity. Meanwhile, the enantiomeric excess (ee) value remained at 80% in the eighth cycle. The pHEMA support, immobilized by Mn(III)salen, probably acted as a mediator of the reaction between the substrate and the oxidant, and enhanced the stability of the Mn(III)salen compound. Copyright © 2012 John Wiley & Sons, Ltd.
Catalytic Diastereoselective Tandem Conjugate Addition–Elimination Reaction of Morita–Baylis–Hillman C Adducts by CC Bond Cleavage
Authors: Yang Wenguo , Tan Davin , Lee Richmond , Li Lixin , Pan Yuanhang , Huang Kuo‐Wei , Tan Choon‐Hong , Jiang Zhiyong
Published: February 2012

Through the cleavage of the CC bond, the first catalytic tandem conjugate addition–elimination reaction of Morita–Baylis–Hillman C adducts has been presented. Various SN2′‐like C‐, S‐, and P‐allylic compounds could be obtained with exclusive E configuration in good to excellent yields. The Michael product could also be easily prepared by tuning the β‐C‐substituent group of the α‐methylene ester under the same reaction conditions. Calculated relative energies of various transition states by DFT methods strongly support the observed chemoselectivity and diastereoselectivity.
Dynamic System Identification Using High‐Order Hopfield‐Based Neural Network (HOHNN)
Authors: Wang Chi‐Hsu , Hung Kun‐Neng
Published: February 2012

The high‐order Hopfield‐based neural network (HOHNN) with functional link net (FLN) has been developed in this paper for the purpose of uncertain dynamic system identification. In comparison with the traditional Hopfield neural network (HNN) and the high‐order neural network (HONN), the compact structure ofFLN, with a systematic order mathematical representation combined into the proposedHOHNN, has additional inputs for each neuron for faster convergence rate and less computational load. The weighting factors inHOHNNare tuned via theLyapunov stability theorem to guarantee the convergence performance of real‐time system identification. The robust learning analysis ofHOHNNto improve the convergence in the performance is also discussed. The simulation results and computation analysis for different Hopfield‐based neural networks are conducted to show the effectiveness ofHOHNNin uncertain dynamic system identification.
Output Feedback Terminal Sliding Mode Control for a Class of Second Order Nonlinear Systems
Authors: Zhao Dongya , Li Shaoyuan , Zhu Quanmin
Published: February 2012

In this study, a novel output feedback terminal sliding mode control (TSMC) approach is proposed for a class of second order nonlinear systems in light of the equivalent output injection sliding mode observer (SMO) method and TSMC principle. The SMO method is applied to reconstruct full states in finite time and the non‐singular TSMC algorithm is designed to stabilize system states to equilibrium points in finite time. The corresponding stability analysis is presented. An indispensable illustrative example is bench tested to validate the effectiveness of the proposed approach.
Stability Analysis of Uncertainty Linear Systems Described by Fuzzy Characteristic Equations
Authors: Hallaji Majid , Zare Assef , Kamyad Ali Vahidian
Published: February 2012

This paper uses Kharitonov's theorem to present a new idea for assessment of the stability of linear systems that are described by fuzzy differential equations, while system uncertainty is expressed as fuzzy convex sets for coefficients of the characteristic equation. The paper then deals with determination of stability margins and the design of classical robust controllers of fuzzy type for those systems. In each part, illustrative examples and simulation results are provided.
Brücken Form Konstruktion Kritik
Authors: Stiglat Klaus
Published: February 2012

Brücken verändern die Landschaft und das Stadtbild, sie können verunstalten und bereichern. Mit den neuen Brücken aus Stahl oder später aus Beton stellte sich die Frage nach ihrem ästhetischen Wert. Die an den Steinbrücken entwickelten Maßstäbe verloren weitgehend ihre Gültigkeit: Die Linie eroberte nun mit den neuartigen Konstruktionen den Raum. Eine Sparte “Kritik” findet sich weder in der Ausbildung der Bauingenieure noch, von Ausnahmen abgesehen, in ihren Publikationen, obwohl die meisten Brücken eine “Rezension” verdienten: Der nachfolgende Beitrag ist ein Plädoyer dafür.
Rissbildung infolge Bewehrungskorrosion
Authors: Müller Harald S. , Bohner Edgar
Published: February 2012

Die bisherigen Ansätze zur Bemessung einer Betonkonstruktion auf ihre Lebensdauer betrachten das Ende der Einleitungsphase (Depassivierung der Bewehrung) als kritischen Grenzzustand. Wesentlich besser wäre es, die eintretende Schädigung, also bei Bewehrungskorrosion den Zeitpunkt der Rissbildung, als Grenzzustand heranzuziehen. Dies ist bisher jedoch nicht möglich, weil die Zeitspanne zwischen dem Ende der Einleitungsphase und der Erstrissbildung unbekannt ist. Die Lösung dieses offenen Problems ist von zentraler Bedeutung, da die unbekannte Zeitspanne zwischen wenigen Monaten und Jahrzehnten betragen kann und im letzteren Fall eine aufwendige Bemessung auf Basis des Grenzzustands Depassivierung der Bewehrung obsolet ist.

Vor diesem Hintergrund setzt sich der vorliegende Beitrag mit der Schädigungsphase, also mit den Prozessen nach Ende der Einleitungsphase und der Rissbildung infolge der Bewehrungskorrosion, auseinander. Es werden die Ergebnisse einer umfangreichen wissenschaftlichen Untersuchung zusammengefasst. Sie ermöglichten die Entwicklung eines Modells, mit dessen Hilfe für unterschiedliche Einwirkungen und betontechnische Randbedingungen die Zeitspanne zwischen der Depassivierung (Korrosionsbeginn) und dem Schadenseintritt (Risse, Abplatzungen) berechnet werden kann. Des Weiteren gelang es, durch neuartige Versuche und eine spezielle Versuchskonzeption erstmals ein Materialgesetz für den sich unter Praxisbedingungen bildenden Rost abzuleiten.

Cracking due to reinforcement corrosion. Mechanisms and prediction models

Current approaches for service life design of concrete structures define the end of the initiation period (depassivation of the reinforcement) as the critical limit state. It would be a significant improvement to specify the occurring damage as a limit state, i. e. the condition when cracking due to reinforcement corrosion appears. However, this is not yet possible since the time interval between the end of the initiation period and the cracking of cover concrete is unknown. The solution of this unsolved problem is of high importance since the unknown time interval may last between few months and decades. The latter could imply that an elaborate service life design based on the limit state depassivation of the reinforcement is obsolete.

Against this background the present paper is dealing with the propagation period, i. e. with the processes after the end of the initiation period and the cracking due to reinforcement corrosion. The results of a comprehensive scientific research project are summarized. They allowed for the development of a model which enables to calculate the time interval between depassivation (start of corrosion) and damage occurrence (cracking, spalling) for different exposures and concrete technical conditions. A further successful outcome, which is based on novel experiments and a special test configuration, is the first constitutive law for rust that is formed under practical conditions within the transition zone between the reinforcing steel and concrete.
Animating synthetic dyadic conversations with variations based on context and agent attributes
Authors: Sun Libo , Shoulson Alexander , Huang Pengfei , Nelson Nicole , Qin Wenhu , Nenkova Ani , Badler Norman I.
Published: February 2012

Conversations between two people are ubiquitous in many inhabited contexts. The kinds of conversations that occur depend on several factors, including the time, the location of the participating agents, the spatial relationship between the agents, and the type of conversation in which they are engaged. The statistical distribution of dyadic conversations among a population of agents will therefore depend on these factors. In addition, the conversation types, flow, and duration will depend on agent attributes such as interpersonal relationships, emotional state, personal priorities, and socio‐cultural proxemics. We present a framework for distributing conversations among virtual embodied agents in a real‐time simulation. To avoid generating actual language dialogues, we express variations in the conversational flow by using behavior trees implementing a set of conversation archetypes. The flow of these behavior trees depends in part on the agents' attributes and progresses based on parametrically estimated transitional probabilities. With the participating agents' state, a ‘smart event’ model steers the interchange to different possible outcomes as it executes. Example behavior trees are developed for two conversation archetypes: buyer–seller negotiations and simple asking–answering; the model can be readily extended to others. Because the conversation archetype is known to participating agents, they can animate their gestures appropriate to their conversational state. The resulting animated conversations demonstrate reasonable variety and variability within the environmental context. Copyright © 2012 John Wiley & Sons, Ltd.
ChemInform Abstract: Structural Frustration and Occupational Disorder: The Rare Earth Metal Polysulfides Tb8S14.8, Dy8S14.9, Ho8S14.9, and Y8S14.8.
Authors: Doert Thomas , Graf Christian , Vasilyeva Inga G. , Schnelle Walter
Published: February 2012

Dark red crystals of the title compounds are prepared by flux reactions of the elements in KBr (1070 K, 10 d) and by metathesis reaction of LnCl3 (Ln: Tb—Ho) and M2S2 (M: Na, K).
ChemInform Abstract: New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3 (H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4 (Se2O5) (A: Sr2+ or Pb2+).
Authors: Yeon Jeongho , Kim Sang‐Hwan , Nguyen Sau Doan , Lee Hana , Halasyamani P. Shiv
Published: February 2012

The title compounds are characterized by single crystal XRD, IR and UV/VIS diffuse reflectance spectroscopy, second harmonic generation, piezoelectric, and polarization measurements.
ChemInform Abstract: A New Anhydrous Bismuth Potassium Nitrate, K3Bi2(NO3)9: Synthesis, Structure Characterization and Thermal Decomposition.
Authors: Goaz A. , Uvarov V. , Popov I. , Shenawi‐Khalil S. , Sasson Y.
Published: February 2012

The title compound is prepared by evaporation of an aqueous solution of Bi(NO3)3 and KCl (200 °C, 2 h).
ChemInform Abstract: Ba8Hg3U3S18: A Complex Uranium(+4)/Uranium(+5) Sulfide.
Authors: Bugaris Daniel E. , Ibers James A.
Published: February 2012

Black single crystals of the title compound are synthesized by reaction of S, HgS, BaS, U metal, and sulfur in either BaBr2/KBr or BaCl2 flux (evacuated carbon‐coated silica tube, 1173 K, 7 d, 5 resp.15 wt.% yield).
ChemInform Abstract: A Single Phosphine Ligand Allows Palladium‐Catalyzed Intermolecular C—O Bond Formation with Secondary and Primary Alcohols.
Authors: Wu Xiaoxing , Fors Brett P. , Buchwald Stephen L.
Published: February 2012

Phosphorus biaryl PHO is a new ligand for the title reaction.
ChemInform Abstract: Chemoselective Thioacetalization of Aldehydes Catalyzed by a MCM‐41‐Supported Mercapto Ruthenium Complex.
Authors: Li Jianying , Xie Shiyun , Cheng Li , Liu Jun , Cai Mingzhong
Published: February 2012

Various aromatic and aliphatic aldehydes are easily converted into cyclic and acyclic dithioacetals.
ChemInform Abstract: NaCl as a Novel and Green Catalyst for the Synthesis of Biodynamic Spiro Heterocycles in Water under Sonication.
Authors: Dandia Anshu , Jain Anuj Kumar , Bhati Dharmendra Singh
Published: February 2012

The advantages of the presented method are a high yield, an easy handling and purification of the product is not necessary.
ChemInform Abstract: Radical Addition Reaction of Perfluoroalkyl Iodides with 2,3‐Allenols and the Pd‐Catalyzed Kinetic Resolution via Sonogashira Coupling Reaction.
Authors: Ma Zhichao , Zeng Rong , Fu Chunling , Ma Shengming
Published: February 2012

Radical addition reaction of perfluorobutyl iodide towards allenols (I), (VI) and (IX) provides a mixture of E/Z‐isomeric allylic alcohols.
ChemInform Abstract: The First Catalytic Asymmetric Addition of Diethylzinc to Aldehyde Promoted by Chiral Thiourea.
Authors: Qiao Zhi Guo , Shen Tian Hua , Fu Zhen Fang , Li Jun Qi , Wang Hong , Song Qing Bao
Published: February 2012

A C2‐symmetric thiourea is employed as ligand to give the alkylated products with up to 87% e.e.
ChemInform Abstract: Synthesis of Novel Amide Molecular Tweezers under Solvent‐Free Conditions Using Microwave Irradiation.
Authors: Zeng Bitao , Zhou Lijun , Li Xiangbiao , Zhao Xianming , Zhao Zhigang , Deng Mei
Published: February 2012

The molecular tweezers (V) (12 examples) exhibit good recognition properties for Cl‐, Br‐, I‐, and Ac‐O‐ ions.
ChemInform Abstract: Efficient Preparation of ortho‐Aminobenzenesulfonamides Using Ligand‐Free Copper(I)‐Catalyzed Amination.
Authors: Bahlaouan Zineb , Thibonnet Jerome , Duchene Alain , Parrain Jean‐Luc , Elhilali Mostafa , Abarbri Mohamed
Published: February 2012

A simple method is presented for the preparation of pharmaceutically important title compounds (III).
ChemInform Abstract: Pd(II)‐Catalyzed Formal O—H Insertion Reactions of Diazonaphthoquinones to Acetic Acid: Synthesis of 1,2‐Naphthalenediol Derivatives.
Authors: Kitamura Mitsuru , Kisanuki Masato , Sakata Rie , Okauchi Tatsuo
Published: February 2012

The position of the acetyl group of the products (III)/(IV) and (VI)/(VII) is undetermined although one major product is obtained in general.
ChemInform Abstract: Metal‐Free C—H Cross‐Coupling Toward Oxygenated Naphthalene‐Benzene Linked Biaryls.
Authors: Dohi Toshifumi , Ito Motoki , Itani Itsuki , Yamaoka Nobutaka , Morimoto Koji , Fujioka Hiromichi , Kita Yasuyuki
Published: February 2012

A perfluorinated hypervalent iodine reagent is successfully applied as an extreme single‐electron‐transfer oxidant in the intermolecular C—H cross‐coupling reaction.
ChemInform Abstract: Palladium‐Catalyzed C‐2 or C‐5 Direct Arylation of 3‐Substituted Thiophenes with Aryl Bromides.
Authors: Dong Jia Jia , Roy David , Roy Reny Jacob , Ionita Marina , Doucet Henri
Published: February 2012

The regioselectivity of the reaction strongly depends on the substituent at the thiophene substrate.
ChemInform Abstract: CrCl3·6H2O/Hydrogenated Bis‐Schiff Base as a New Efficient Catalyst System for Synthesis of Bis(indoly) Methane.
Authors: Yang Yonglei , Xie Zhengfeng , Wang Jide
Published: February 2012

The synthesis of the BAA‐ligand is presented as well.
ChemInform Abstract: Cytotoxic and Antivascular 1‐Methyl‐4‐(3‐fluoro‐4‐methoxyphenyl)‐5‐(halophenyl)‐imidazoles.
Authors: Biersack Bernhard , Muthukumar Yazh , Schobert Rainer , Sasse Florenz
Published: February 2012

New N‐methylimidazole bridged analogues (VI) (8 examples) of combretastatin A‐4 are synthesized and evaluated for their cytotoxicity and antiangiogenic activity.
ChemInform Abstract: Boric Acid‐Catalyzed Direct Condensation of Carboxylic Acids with Benzene‐1,2‐diamine into Benzimidazoles.
Authors: Maras Nenad , Kocevar Marijan
Published: February 2012

Direct cyclocondensation of o‐phenylenediamine (I) with a variety of carboxylic acids is readily achieved using catalytic amounts of boric acid in refluxing toluene under Dean‐Stark conditions.
ChemInform Abstract: Expeditious Preparation of Isoxazoles from Δ2‐Isoxazolines as Advanced Intermediates for Functional Materials.
Authors: Vilela Guilherme D. , da Rosa Rafaela R. , Schneider Paulo H. , Bechtold Ivan H. , Eccher Juliana , Merlo Aloir A.
Published: February 2012

Nitrile oxides, generated in situ from oximes of type (I), undergo regioselective 1,3‐dipolar cycloaddition with styrenes to yield isoazolines (III).
ChemInform Abstract: Chiral Cinchona Alkaloid‐Thiourea Catalyzed Mannich Reaction for Enantioselective Synthesis of β‐Amino Ketones Bearing Benzothiazol Moiety.
Authors: Lin Peng , Song Baoan , Bhadury Pinaki S. , Hu Deyu , Zhang Yuping , Jin Linhong , Yang Song
Published: February 2012

The preparation of catalyst QTU is presented as well.
ChemInform Abstract: Synthesis and Characterization of Cannabimimetic Aminoalkylindole Based 5‐(4‐Alkyl‐1‐naphthoylamino)‐1,3,4‐thiadiazole‐2‐sulfonamides.
Authors: Zengin Gulay , Nalbantbasi Zehra , Zengin Huseyin , Turkmen Hasan
Published: February 2012

Acyl chlorides, derived from naphthoic acids (I), react with deacetylated acetazolamide (II) in the presence of N‐ethyl‐morpholine to provide structures incorporating 1‐naphthoyl groups of cannabimimetic aminoalkylindoles and a five‐membered heteroring typical for antiglaucoma drugs.
ChemInform Abstract: Copper(II)‐Catalyzed Asymmetric Henry Reaction of o‐Alkynylbenzaldehydes Followed by Gold(I)‐Mediated Cycloisomerization: An Enantioselective Route to Chiral 1H‐Isochromenes and 1,3‐Dihydroisobenzofurans.
Authors: Lu Dengfu , Zhou Yirong , Li Yajun , Yan Shaobai , Gong Yuefa
Published: February 2012

The ratio of products is dependent on the electronic nature of the substituents.
ChemInform Abstract: A Pd‐Mediated New Strategy to Functionalized 2‐Aminochromenes: Their in vitro Evaluation as Potential Antituberculosis Agents.
Authors: Reddy T. Ram , Reddy L. Srinivasula , Reddy G. Rajeshwar , Nuthalapati Venkata Subbaiah , Lingappa Y. , Sandra Sandhya , Kapavarapu Ravikumar , Misra Parimal , Pal Manojit
Published: February 2012

A new compound library based on the 2‐aminochromene framework is synthesized via a novel strategy involving a multi‐component reaction and Pd‐catalyzed C—C bond forming reaction.
ChemInform Abstract: 1‐Hydroxy‐8‐methyl‐1,4,8‐triazaspiro[4.5]decan‐2‐one and Its (.+‐.)‐3‐Methyl Homologue: Regioselective Synthesis and in vivo Evaluation as Adjuvants in Leukemia Chemotherapy.
Authors: Vystorop Igor V. , Konovalova Nina P. , Sashenkova Tat'yana E. , Berseneva Elena N. , Chernyak Alexander V. , Fedorov Boris S. , Kostyanovsky Remir G.
Published: February 2012

The condensation reaction of glycine and alanine hydroxamic acids with piperidone (II) regioselectively affords the title spiro compounds (III), which are capable of enhancing sensitivity of P388 and L1210 leukemias in mice models to the known anticancer drugs cisplatin and cyclophosphamide.
ChemInform Abstract: N‐(Substituted benzyl)‐3,5‐bis(benzylidene)‐4‐piperidones: Synthesis and Preliminary Antileukemia Activity. Part 1.
Authors: Wang Jing , Meng Wen , Ni Zhenjie , Xue Sijia
Published: February 2012

The starting material (I) is prepared in a three‐step synthesis.
ChemInform Abstract: A General Protocol for the Solvent‐ and Catalyst‐Free Synthesis of 2‐Styrylquinolines under Focused Microwave Irradiation.
Authors: Staderini Matteo , Cabezas Nieves , Bolognesi Maria Laura , Menendez J. Carlos
Published: February 2012

The reaction generates a C—C double bond in a very efficient manner with only AcOH as the side product.
ChemInform Abstract: Selective Synthesis of Some Imidazopyridine‐Fused Chromones.
Authors: Costa Marta , Proenca M. Fernanda
Published: February 2012

Intramolecular cyclization of iminochromenylpyridinium chlorides (I) in the presence of DABCO provides access to title imidazopyridine‐fused chromones (II) in moderate yields.
ChemInform Abstract: One‐Pot Three‐Component Synthesis of Functionalized Spirolactones by Means of Reaction Between Aromatic Ketones, Dimethyl Acetylenedicarboxylate, and N‐Heterocycles.
Authors: Maghsoodlou Malek Taher , Habibi‐Khorassani Sayyed Mostafa , Moradi Abbas , Hazeri Nourallah , Davodi Amir , Sajadikhah Seyed Sajad
Published: February 2012

The present procedure has the advantage that the reactions are performed under neutral conditions and that the substances can be mixed without any activation or modification.
ChemInform Abstract: Synthesis of Quinoxaline Derivatives Using TiO2 Nanoparticles as an Efficient and Recyclable Catalyst.
Authors: Alinezhad Heshmatollah , Tajbakhsh Mahmood , Salehian Fatemeh , Biparva Pourya
Published: February 2012

TiO2 nanoparticles are prepared via a sol‐gel method and shown to be an efficient catalyst for the synthesis of quinoxaline derivatives.
ChemInform Abstract: Microwave‐Assisted Aqueous Synthesis: A Rapid Approach to Polyfunctionalized Indoline‐Spiro Benzofurodiazepines.
Authors: Wang Shuliang , Cheng Chuang , Gong Feng , Wu Feiyue , Jiang Bo , Zhou Jianfeng , Tu Shujiang
Published: February 2012

The reaction is carried out under environmentally benign conditions.
ChemInform Abstract: Reactions of 2‐(5‐Methyl‐2‐phenyl‐2H‐1,2,3‐diazaphosphol‐4‐yl) ‐4H‐1,3,2‐benzodioxaphosphinin‐4‐one with Chloral and Hexafluoroacetone.
Authors: Mironov Vladimir F. , Ivkova Gulnara A. , Abdrakhmanova Liliya M. , Mironova Ekaterina V. , Krivolapov Dmitry B. , Konovalova Irina V.
Published: February 2012

Interestingly, the title diazaphospholyldioxaphosphininone (I) reacts with carbonyl compounds exclusively at the more reactive P(III) atom of the dioxaphosphinine cycle.
ChemInform Abstract: Neat Synthesis and Antioxidant Activity of α‐Hydroxyphosphonates.
Authors: Rao K. Uma Maheswara , Sundar Ch. Syama , Prasad S. Siva , Rani C. Radha , Reddy C. Suresh
Published: February 2012

Some α‐hydroxyphosphonates, especially derivative (IIIc), show appreciable antioxidant activities.
ChemInform Abstract: A New Friedelane Triterpenoid from the Branches of Maytenus gonoclada (Celastraceae)
Authors: Silva Fernando C. , Rodrigues Vanessa G. , Duarte Lucienir P. , Silva Gracia D. F. , Miranda Roqueline R. S. , Filho Sidney A. V.
Published: February 2012

structure and stereochemistry of the new triterpenoid (I)
ChemInform Abstract: Steroidal C‐21 Mercapto Derivatives as Dissociated Steroids: Discovery of an Inhaled Dissociated Steroid.
Authors: Biji Purakkattle , et al. et al.
Published: February 2012

A series of C‐21 mercapto derivatives of hydrocortisone is synthesized.
ChemInform Abstract: Concise Synthesis of Pelanserine (IIIa), Goshuyuamide II (VII), and Wuchuyuamide II (VIII) with Quinazolinedione Nuclei.
Authors: Li Xin , Lee Yong Rok , Kim Sung Hong
Published: February 2012

Efficient and concise syntheses of the potent antihypertensive agent pelanserine (IIIa) and the two naturally occurring alkaloids (VII) and (VIII) are developed utilizing the formation of quinazolinedione nuclei (III) from isatoic anhydride as key step.
ChemInform Abstract: Potent Antiprotozoal Activity of a Novel Semi‐Synthetic Berberine Derivative.
Authors: Kinghorn A. Douglas , et al. et al.
Published: February 2012

The semi‐synthetic berberine analogue (I) reveals nanomolar level potency against in vitro models of leishmaniasis, malaria, and trypanosomiasis, and shows activity in an in vivo visceral leishmaniasis model.
ChemInform Abstract: Synthesis, α‐Adrenoceptors Affinity and α1‐Adrenoceptor Antagonistic Properties of Some 1,4‐Substituted Piperazine Derivatives.
Authors: Marona H. , Kubacka M. , Filipek B. , Siwek A. , Dybaia M. , Szneler E. , Pociecha T. , Gunia A. , Waszkielewicz A. M.
Published: February 2012

A series of 1,4‐substituted piperazine derivatives (I) are synthesized and evaluated for affinity towards α1‐ and α2‐receptors by radioligand‐binding assay.
ChemInform Abstract: Laser‐Induced Chemical Liquid Phase Deposition of Metals: Chemical Reactions in Solution and Activation of Dielectric Surfaces
Authors: Kochemirovsky V. A. , Menchikov L. G. , Safonov S. V. , Bal'makov M. D. , Tumkin I. I. , Tver'yanovich Yu. S.
Published: February 2012

Review: 92 refs.
ChemInform Abstract: One‐Dimensional Oxygen‐Deficient Metal Oxides
Authors: Han Wei‐Qiang
Published: February 2012

Review: 59 refs.
ChemInform Abstract: Synthetic Applications of Suzuki—Miyaura Cross‐Coupling Reaction
Authors: Jonnalagadda Subash C. , Corsello Michael A. , Hetzell Brandon R. , Mereddy Venkatram R.
Published: February 2012

Review: 313 refs.
ChemInform Abstract: Organic Synthesis Using Boron and Organoboron Halides
Authors: Yao Min‐Liang , Kabalka George W.
Published: February 2012

Review: 264 refs.
ChemInform Abstract: Supported Synthesis of Halogenated Organic Compounds
Authors: Boldon Sophie , Stenhagen Ida S. R. , Moore Jane E. , Luthra Sajinder K. , Gouverneur Veronique
Published: February 2012

Review: ca. 100 refs.
Hybrid SPECT/cardiac‐gated first‐pass perfusion CT: locating transplanted cells relative to infarcted myocardial targets
Authors: Sabondjian Eric , Mitchell Andrea J. , Wisenberg Gerald , White James , Blackwood Kimberley J. , Sykes Jane , Deans Lela , Stodilka Robert Z. , Prato Frank S.
Published: February 2012

Purpose

A challenge with cardiac cell therapy is determining the location of cells relative to infarct tissue. As cells are viable following 111In‐labeling, and first‐pass CT imaging can identify regions of myocardial infarction, we evaluated the feasibility of a SPECT/CT system to localize cells relative to infarcted myocardium in a canine model.

Methods

Ten canines underwent surgical ligation of the left‐anterior‐descending artery and endothelial progenitor cells labeled with 111In‐tropolone were transplanted endocardially or epicardially. SPECT/CT was performed on day of transplantation, 4 and 10 days post‐transplantation. For each imaging session first‐pass perfusion CT was performed to delineate the area of reduced perfusion. SPECT and first‐pass CT images were fused and evaluated. Contrast‐to‐noise ratios (CNR) were calculated for 111In‐SPECT images to evaluate cell detection.

Results

The zone of reduced perfusion was well delineated on first‐pass perfusion CT in all canines. The 111In signal was visualized within this zone in all cases. Analysis of the CNRs suggests that cells may be followed for 11 effective half‐lives using the images from first‐pass perfusion CT to provide the anatomic landmarks.

Conclusion

In the setting of an acute myocardial infarction SPECT/[first‐pass perfusion CT] is an effective hybrid platform for the localization of cells in relation to the area of reduced blood flow. Copyright © 2012 John Wiley & Sons, Ltd.
Thalamocortical projections of the anterodorsal thalamic nucleus in the rabbit
Authors: Shibata Hideshi , Honda Yoshiko
Published: February 2012

The anterior thalamic nuclei consist of the anterodorsal (AD), anteroventral, and anteromedial nuclei, each of which are highly differentiated and may contribute to different aspects of various cognitive and memory functions. In particular, the AD is unique in that it is implicated in learning at the earliest stage of discriminative avoidance conditioning in the rabbit. To better understand the functional roles played by the AD in memory and learning processes, we analyzed the organization of thalamocortical projections of the AD in the rabbit, using the anterograde tracer biotinylated dextran amine and the retrograde tracer cholera toxin subunit B. The data show that the AD provides strong projections to layers I and IV of area 30 and to layers I, III, IV, and VI of area 29 in the retrosplenial cortex, and to layers I and III–VI of the presubiculum. The projections to the retrosplenial cortex are organized such that the rostral and caudal AD, respectively, project to the caudal and rostral retrosplenial cortex. In contrast, the projections to the presubiculum are not organized topographically. Other minor projections were also observed in the parasubiculum and part of the medial entorhinal area. These results indicate that the AD provides strong projections to the retrosplenial cortex and presubiculum, suggesting that these projections constitute essential pathways to these cortical regions for transmitting mnemonic information, such as a novel conditioning stimulus during the initial stage of avoidance learning. J. Comp. Neurol. 520:2647–2656, 2012. © 2012 Wiley Periodicals, Inc.
Neuroprotective effects of testosterone on motoneuron and muscle morphology following spinal cord injury
Authors: Byers James S. , Huguenard Anna L. , Kuruppu Dulanji , Liu Nai‐Kui , Xu Xiao‐Ming , Sengelaub Dale R.
Published: February 2012

Treatment with testosterone is neuroprotective/neurotherapeutic after a variety of motoneuron injuries. Here we assessed whether testosterone might have similar beneficial effects after spinal cord injury (SCI). Young adult female rats received either sham or T9 spinal cord contusion injuries and were implanted with blank or testosterone‐filled Silastic capsules. Four weeks later, motoneurons innervating the vastus lateralis muscle of the quadriceps were labeled with cholera toxin‐conjugated horseradish peroxidase, and dendritic arbors were reconstructed in three dimensions. Soma volume, motoneuron number, lesion volume, and tissue sparing were also assessed, as were muscle weight, fiber cross‐sectional area, and motor endplate size and density. Contusion injury resulted in large lesions, with no significant differences in lesion volume, percent total volume of lesion, or spared white or gray matter between SCI groups. SCI with or without testosterone treatment also had no effect on the number or soma volume of quadriceps motoneurons. However, SCI resulted in a decrease in dendritic length of quadriceps motoneurons in untreated animals, and this decrease was completely prevented by treatment with testosterone. Similarly, the vastus lateralis muscle weights and fiber cross‐sectional areas of untreated SCI animals were smaller than those of sham‐surgery controls, and these reductions were both prevented by testosterone treatment. No effects on motor endplate area or density were observed across treatment groups. These findings suggest that regressive changes in motoneuron and muscle morphology seen after SCI can be prevented by testosterone treatment, further supporting a role for testosterone as a neurotherapeutic agent in the injured nervous system. J. Comp. Neurol. 520:2683–2696, 2012. © 2012 Wiley Periodicals, Inc.
Digital image correlation of bone sequential microscopic observations
Authors: Budyn Elisa , Jonvaux Julien , Hoc Thierry
Published: February 2012

A method of image correlation is presented to study sequential microscopic observations of human Haversian cortical bone. Imaging biological tissues is sometimes challenging owing to their complex microstructures in particular when microcracks appear. Bone microfractures can be studied in micro compression tests where the progressive growth of small cracks is imaged by light microscopy. The two‐dimensional displacement field on the sample surface is then tracked by various digital image correlation methods based on cross‐correlation formulation. Because of the potential high number of sequential observations, the method calculates the displacements at given growth steps obtained either by direct comparison of the studied step and the undeformed initial state, called ‘direct correlation’, or by iterative comparisons of successive pairs of observations, called ‘gradual correlation’. In the gradual procedure, two cases are studied, referred to as ‘invariant gradual correlation’ and ‘varying gradual correlation’, when the correlation domain is transferred till the last observation or reinitialised for each image pairs. As bone is highly heterogeneous, two types of correlation procedures are considered with or without domain partition (WDP or WODP) delimiting material and strong discontinuities. The precision of the methods is specifically evaluated for experimental observations. Copyright © 2012 John Wiley & Sons, Ltd.
Metallomacrocyclic Complexes by Self‐Assembly of NiII and CuII Ions and Chelating Bis(N‐acylamidines)
Authors: Clodt Juliana Isabel , Fröhlich Roland , Eul Matthias , Würthwein Ernst‐Ulrich
Published: February 2012

Bis(N‐acylamidines) 1, which contain various rigid or flexible spacer units with different spatial orientations, are potent bis(bidentate) ligands for the coordination of metal ions. Treatment of 1 with NiII or CuII salts gave two 2:2 (3) and four 3:3 (4) metallomacrocycles by self‐assembly. The structures of the hitherto unknown products were determined by the geometry of the ligands that incorporate either linear or bent spacers between the two binding sites. Complex 3b is especially interesting due to its two vinyl subunits orientated perpendicular to the plane of the molecule. Complexes 3 and 4 crystallize in planar layers with intercalated solvent molecules (N,N‐dimethylformamide, dimethyl sulfoxide). The molecular structures of five coordination compounds in the solid state have been elucidated by X‐ray diffraction.
Direct Base‐Assisted C–N Bond Formation between Aryl Halides and Aliphatic Tertiary Amines under Transition‐Metal‐Free Conditions
Authors: Fang Yang , Zheng Yueqin , Wang Zhiyong
Published: February 2012

Direct base‐mediated amination of aryl halides with aliphatic tertiary amines via an aryne intermediate was developed under transition‐metal‐free conditions. This operationally simple C–N bond‐coupling protocol could tolerate a variety of functionalized aryl halides as well as several aliphatic tertiary amines. Moreover, this environmentally benign process provides a new strategy for direct C–N bond formation.
Synthesis, Structure, and Photochemistry of 5,14‐Diketopentacene
Authors: Aotake Tatsuya , Ikeda Shinya , Kuzuhara Daiki , Mori Shigeki , Okujima Tetsuo , Uno Hidemitsu , Yamada Hiroko
Published: February 2012

5,14‐α‐Diketopentacene, a structural isomer of 6,13‐α‐diketopentacene, was prepared from pentacene in three steps. In addition to the typical n–π* absorption of the diketone moiety at around 468 nm and the anthracene‐like absorption at 333, 349, and 367 nm, a broad absorption was observed at around 386 nm, which could be assigned to an intramolecular charge‐transfer absorption from anthracene to the diketone moiety. 5,14‐α‐Diketopentacene could be converted into pentacene quantitatively by photoirradiation at 405 and 468 nm in toluene with quantum yields of 2.3 and 2.4 %, respectively, and these values are higher than the quantum yield of 1.4 % obtained for 6,13‐α‐diketopentacene irradiated at 468 nm. The quantum yields in acetonitrile were lowered to 0.33 and 0.28 % with irradiation at 405 and 468 nm. The crystal structure of 5,14‐α‐diketopentacene showed a CH–π interaction and π–π stacking between neighbouring anthracene and benzene moieties. The lower solubility of 5,14‐α‐diketopentacene compared with the 6,13‐isomer could be explained by this crystal structure.
Enrichment of seismic ground motion databases using Karhunen–Loève expansion
Authors: Zentner Irmela , Poirion Fabrice
Published: February 2012

Best estimate seismic analysis are generally based on time‐domain simulations of structural responses. The seismic load is then modeled by a stochastic process representing ground motion. For this purpose, the analyst can use recorded accelerograms or work with synthetically generated ones. The number of ground motion time‐histories available for a given scenario and site condition is limited and generally not sufficient for carrying out more advanced probabilistic structural response analysis. It is then necessary to have at our disposal methods that allow for generating synthetic accelerograms that realistically characterize earthquake ground motions. However, most of the methods proposed in literature for generating synthetic accelerograms do not accurately reproduce the natural variability of ground motion parameters (such as PGA, cumulative absolute velocity, and Arias intensity) observed for recorded time histories. In this paper, we introduce a new method for generating synthetic ground motion, based on Karhunen‐Loève decomposition and a non‐Gaussian stochastic model. The proposed method enables the structural analyst to simulate ground motion time histories featuring the properties mentioned above. To demonstrate its capability, we study the influence of the simulation method on different ground motion parameters and on soil response spectra. We finally compute fragility curves to illustrate the practical application of the proposed method. Copyright © 2012 John Wiley & Sons, Ltd.
(Apocynaceae, Asclepiadoideae), a new campanulate flowered species from Peninsular Malaysia and southern Thailand
Authors: Rodda Michele , Juhonewe Nadhanielle Simonsson
Published: February 2012

A new species, Hoya mappigera is described and illustrated. Despite its oldest herbarium record being more one century old it has been confused up to now with either the co‐occurring Hoya campanulata or the Singapore endemic Hoya wallichii because of the common presence of showy, broadly campanulate corollas. A close examination of the corona morphology revealed that the closest morphological match is neither of these species but instead the recently described Brunei endemic Hoya wongii. The two species can be easily separated because the latter has bi‐toothed inner corona lobes whereas the new species presents sulcate inner corona lobes ending in an acuminate tip. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Measurement of epithelial thickness within the oral cavity using optical coherence tomography
Authors: Prestin Sven , Rothschild Sacha I. , Betz Christian Stephan , Kraft Marcel
Published: February 2012

Background

The purpose of the present study was to determine normal values of epithelial thickness within the oral cavity by using optical coherence tomography (OCT).

Methods

In a total of 143 healthy test persons, epithelial thickness of the oral mucosa was determined with the help of OCT separately for each side at 7 different locations. Special attention was directed to those sites having the highest incidence for the development of dysplasias and carcinomas.

Results

The epithelium demonstrated a varying thickness depending on its location within the oral cavity. The highest values were found in the region of the buccal mucosa (294 μm) and the hard palate (239 μm), whereas the thinnest epithelium was measured at the floor of the mouth (99 μm).

Conclusion

Our data serve as reference values for detecting oral malignancy and determining the approximate grade of dysplasia. In this circumstance, a differentiated view of the different regions is important due to a variation in thickness of the epithelium within the oral cavity. © 2012 Wiley Periodicals, Inc. Head Neck, 2012
Major vault protein: A virus-induced host factor against viral replication through the induction of type-I interferon
Authors: Liu Shi , Hao Qian , Peng Nanfang , Yue Xin , Wang Yu , Chen Yanni , Wu Jianguo , Zhu Ying
Published: February 2012

Major vault protein (MVP) is the major constituent of vaults and is involved in multidrug resistance, nucleocytoplasmic transport, and cell signaling. However, little is known about the role of MVP during viral infections. In this study, high levels of MVP were found in peripheral blood mononuclear cells, sera, and liver tissue from patients infected with hepatitis C virus (HCV) relative to healthy individuals. HCV infections resulted in elevated levels of MVP messenger RNA (mRNA) and protein expression in the hepatocyte cell lines Huh7.5.1 and Huh7. Further studies demonstrated that the nuclear factor kappa B (NF-κB) and Sp1 pathways are involved in the induction of MVP expression by HCV. Interestingly, MVP expression suppressed HCV replication and protein synthesis by way of induction of type-I interferon mRNA expression and protein secretion. Upon investigating the mechanisms behind this event, we found that MVP enhanced the expression of interferon regulatory factor 7 (IRF7), but not IRF3. Translocation of activated IRF7 and NF-κB from the cytosol to the nucleus was involved in this process. Furthermore, vesicular stomatitis virus, influenza A virus, and enterovirus 71 also induced MVP production, and MVP in turn hampered viral replication and production. Conclusion: MVP is a novel virus-induced host factor and its expression up-regulates type-I interferon production, leading to cellular antiviral responses. (HEPATOLOGY 2012;56:57–66)
Imaging the inhibition by anti‐β1 integrin antibody of lung seeding of single osteosarcoma cells in live mice
Authors: Kimura Hiroaki , Tome Yasunori , Momiyama Masashi , Hayashi Katsuhiro , Tsuchiya Hiroyuki , Bouvet Michael , Hoffman Robert M.
Published: February 2012

Integrins play a role in tumor growth and metastasis. However, the effect of integrin inhibition has not been visualized on single cancer cells in vivo. In this study, we used a powerful subcellular in vivo imaging model to demonstrate how an anti‐integrin antibody affects seeding and growth of osteosarcoma cells on the lung. The 143B human osteosarcoma cell line, expressing red fluorescent protein (RFP) in the cytoplasm and green fluorescent protein (GFP) in the nucleus, was established. Such double‐labeled cells enable imaging of apoptosis and mitosis and other nuclear‐cytoplasmic dynamics. Using the double‐labeled osteosarcoma cells, single cancer‐cell seeding in the lung after i.v. injection of osteosarcoma cells was imaged. The anti‐β1 integrin monoclonal antibody, AIIB2, greatly inhibited the seeding of cancer cells on the lung (experimental metastasis) while a control antibody had no effect. To image the efficacy of the anti‐integrin antibody on spontaneous metastasis, mice with orthotopically‐growing 143B‐RFP cells in the tibia were also treated with AIIB2 or control anti‐rat IgG1 antibody. After 3 weeks treatment, mice were sacrificed and primary tumors and lung metastases were evaluated with fluorescence imaging. AIIB2 significantly inhibited spontaneous lung metastasis but not primary tumor growth, possibly due to inhibition of lung seeding of the cancer cells as imaged in the experimental metastasis study. AIIB2 treatment also increased survival of mice with orthotopically growing 143B‐RFP.
Density functional theory calculation of cyclic carboxylic phosphorus mixed anhydrides as possible intermediates in biochemical reactions: Implications for the Pro‐Tide approach
Authors: Ricci Antonio , Brancale Andrea
Published: February 2012

Cyclic acyl phosphoramidates (CAPAs) are important components in several fundamental biological reactions such as protein synthesis and phosphorylation. These structures are particularly interesting in the nucleotide pro‐drug approach, Pro‐Tide, since they are putative intermediates in one of the hydrolysis steps required for activation. The central role played by the amino acid carboxylate function suggests first the formation of a cyclic mixed phosphorus anhydride, rapidly followed by water attack. To investigate such speculations, we performed quantum mechanical calculations using the B3LYP/6‐311+G** level of theory for the plausible mechanisms of action considered. In the five‐membered ring case, transition state theory demonstrated how the overall, gas‐phase, mechanism of action could be split into two in‐line addition–elimination (A–E) steps separated by a penta‐coordinate phosphorane intermediate. The difference between five‐membered and six‐membered ring first A–E was also explored, revealing a single step, unimolecular reaction for the six‐membered ring A–E profile. Implicit solvent contribution further confirmed the importance of CAPAs as reactive intermediates in such kind of reactions. Lastly, the second A–E pathway was analyzed to understand the complete pathway of the reaction. This analysis is the first attempt to clarify the putative mechanism of action involved in the activation of Pro‐Tides and casts light also on the possible mechanism of action involved in primordial protein syntheses, strengthening the hypothesis of a common cyclic mixed phosphorus anhydride species as a common intermediate. © 2012 Wiley Periodicals, Inc.
Deep Desulfurization of Light Oil through Extraction and Oxidation Processes using H2O2/Tungstophosphoric Acid in Room‐temperature Ionic Liquids
Authors: Chuang Li‐Lin , Huang Jung‐Fu , Lo Wen‐Hen , Wei Guor‐Tzo
Published: February 2012

In this research, using room‐temperature ionic liquids (RTILs) as the solvents to combine solvent extraction and chemical oxidation processes in one‐pot operation for the desulfurization of fuel oil was pursued. In this solvent extraction and chemical oxidation desulfurization (SECOD), RTILs as media are immiscible with oil; sulfur compounds in oil are extracted into RTILs and oxidized thereafter to the corresponding sulfones by H2O2/TPA (tungstophosphoric acid). During SECOD, these high polar sulfones partition mainly in the ionic liquid phase. Hence, it results in their continuous removal from oil, which leads to deep desulfurization. To study the SECOD, we employed dibenzothiophene (DBT) and 4,6‐dimethyldibenzothiophene (4,6‐DMDBT) in hexadecane as model oil systems and compared the effects of RTILs on the removal of DBT and 4,6‐DMDBT. The desulfurization rates followed the order OMIM+PF6− > BMIM+PF6− > BMIM+BF4−. Both OMIM+PF6− and BMIM+PF6− are water‐immiscible and form three‐phase (oil–water–ionic liquid) reaction systems; these three‐phase systems offer higher removal efficiencies of sulfur compounds from oil. Under the optimized conditions, SECOD process reduced the sulfur content of diesel light oil from 897 to 42 ppm (i.e., 95% desulfurization efficiency) in a one‐batch operation.
Alkaline sulfite/anthraquinone pretreatment followed by disk refining ofPinus radiataandPinus caribaeawood chips for biochemical ethanol production
Authors: Franco Heriberto , Ferraz André , Milagres Adriane M. F. , Carvalho Walter , Freer Juanita , Baeza Jaime , Mendonça Regis Teixeira
Published: February 2012

BACKGROUND:Alkaline sulfite/anthraquinone (ASA) cooking ofPinus radiataandPinus caribaeawood chips followed by disk refining was used as a pretreatment for the production of low lignified and high fibrillated pulps. The pulps produced with different delignification degrees and refined at different energy inputs (250, 750 and 1600 Wh) were saccharified with cellulases and fermented to ethanol withSaccharomyces cerevisiaeusing separated hydrolysis and fermentation (SHF) or semi‐simultaneous saccharification and fermentation (SSSF) processes.

RESULTS:Delignification of ASA pulps was between 25% and 50%, with low glucans losses. Pulp yield was from 70 to 78% for pulps ofP. radiataand 60% for the pulp ofP. caribaea. Pulps obtained after refining were evaluated in assays of enzymatic hydrolysis. Glucans‐to‐glucose conversion varied from 20 to 70%, depending on the degree of delignification and fibrillation of the pulps. The best ASA pulp ofP. radiatawas used in SHF and SSSF experiments of ethanol production. Such experiments produced maximum ethanol concentration of 20 g L−1, which represented roughly 90% of glucose conversion and an estimated amount of 260 L ethanol ton−1wood.P. caribaeapulp also presented good performance in the enzymatic hydrolysis and fermentation but, due to the low amount of cellulose present, only 140 L ethanol would be obtained from each ton of wood.

CONCLUSION:ASA cooking followed by disk refining was shown to be an efficient pretreatment process, which generated a low lignified and high‐fibrillated substrate that allowed the production of ethanol from the softwoods with high conversion yields. Copyright © 2012 Society of Chemical Industry