bluuebunny/crossref_metadata_2025 huggingface dataset:
Mechanical properties of silica particle‐filled styrene‐butadiene rubber composites containing polysulfide‐type silane coupling agents: Influence of loading method of silane
Authors: Fukuda Tomoyoshi , Fujii Syuji , Nakamura Yoshinobu , Sasaki Mariko
Published: March 2013

Polysulfide‐type silane coupling agents containing two or four sulfur atoms were incorporated into a styrene‐butadiene rubber/silica composite by two different loading methods and the tensile properties were measured. The pretreatment method and the integral blend method were compared. To improve the 200% modulus of the composite, the combination of silane with four sulfur atoms and the pretreatment method was effective. Whereas, the combination of silane with four sulfur atoms and the integral blend method was effective for improving the fracture elongation. The fracture elongation of the integral blend using the silane with four sulfur atoms was higher than that of the untreated silica‐filled composite. The sulfur atoms in the silane should contribute to the crosslinking of rubber in the vulcanization process. The silane with much sulfur atoms strengthens the interface effectively and raises the 200% modulus in the pretreatment method. It is considered that the unreacted silane molecules in the rubber acted as a plasticizer in the integral blend method and the effect was better with four sulfur atoms. The 1H pulse nuclear magnetic resonance spectroscopy was measured for the unvulcanized rubber/silica mixture. The measured relaxation time was found to be in good correlation with the 200% modulus. It was found that the molecular mobility of rubber is lowered by the entanglement with the silane chains on the silica surface at the interfacial region, and it was more effective in the pretreatment method than in the integral blend method. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Brain Function Differences in Language Processing in Children and Adults with Autism
Authors: Williams Diane L. , Cherkassky Vladimir L. , Mason Robert A. , Keller Timothy A. , Minshew Nancy J. , Just Marcel Adam
Published: March 2013

Comparison of brain function between children and adults with autism provides an understanding of the effects of the disorder and associated maturational differences on language processing. Functional imaging (functional magnetic resonance imaging) was used to examine brain activation and cortical synchronization during the processing of literal and ironic texts in 15 children with autism, 14 children with typical development, 13 adults with autism, and 12 adult controls. Both the children and adults with autism had lower functional connectivity (synchronization of brain activity among activated areas) than their age and ability comparison group in the left hemisphere language network during irony processing, and neither autism group had an increase in functional connectivity in response to increased task demands. Activation differences for the literal and irony conditions occurred in key language‐processing regions (left middle temporal, left pars triangularis, left pars opercularis, left medial frontal, and right middle temporal). The children and adults with autism differed from each other in the use of some brain regions during the irony task, with the adults with autism having activation levels similar to those of the control groups. Overall, the children and adults with autism differed from the adult and child controls in (a) the degree of network coordination, (b) the distribution of the workload among member nodes, and (3) the dynamic recruitment of regions in response to text content. Moreover, the differences between the two autism age groups may be indicative of positive changes in the neural function related to language processing associated with maturation and/or educational experience. Autism Res 2013, ●●: ●●–●●. © 2013 International Society for Autism Research, Wiley Periodicals, Inc.
Multi‐step down‐regulation of the secretory pathway in mitosis: A fresh perspective on protein trafficking
Authors: Yeong Foong May
Published: March 2013

The secretory pathway delivers proteins synthesized at the rough endoplasmic reticulum (RER) to various subcellular locations via the Golgi apparatus. Currently, efforts are focused on understanding the molecular machineries driving individual processes at the RER and Golgi that package, modify and transport proteins. However, studies are routinely performed using non‐dividing cells. This obscures the critical issue of how the secretory pathway is affected by cell division. Indeed, several studies have indicated that protein trafficking is down‐regulated during mitosis. Moreover, the RER and Golgi apparatus exhibit gross reorganization in mitosis. Here I provide a relatively neglected perspective of how the mitotic cyclin‐dependent kinase (CDK1) could regulate various stages of the secretory pathway. I highlight several aspects of the mitotic control of protein trafficking that remain unresolved and suggest that further studies on how the mitotic CDK1 influences the secretory pathway are necessary to obtain a deeper understanding of protein transport.
Adaptive designs for noninferiority trials
Authors: Gao Ping , Liu Lingyun , Mehta Cyrus
Published: March 2013

A method of testing for noninferiority followed by testing for superiority in an adaptive group sequential design is presented. The method permits a data‐dependent increase in sample size without any inflation of type‐1 error. Closed‐form expressions for computing conditional power and the sample size required to achieve any desired conditional power are derived. A new statistical method for performing inference on the primary efficacy parameter is derived. The method is used to obtain thep‐value, median‐unbiased point estimate and confidence interval for the efficacy parameter. For normal endpoints with known variance, the coverage of the confidence interval is exact. In other settings, the coverage is exact for large samples. An illustrative example is provided in which the methods of testing and estimation are applied to an actual clinical trial of acute bacterial skin and skin‐structure infection. The operating characteristics of the trial are obtained by simulation and demonstrate that the type‐1 error is preserved, the point estimate is median unbiased, and the confidence interval provides exact coverage up to Monte Carlo accuracy.
Oxygen Activation of Apo‐obelin–Coelenterazine Complex
Authors: Eremeeva Elena V. , Natashin Pavel V. , Song Lei , Zhou Yuguang , van Berkel Willem J. H. , Liu Zhi‐Jie , Vysotski Eugene S.
Published: March 2013

Ca2+‐regulated photoproteins use a noncovalently bound 2‐hydroperoxycoelenterazine ligand to emit light in response to Ca2+ binding. To better understand the mechanism of formation of active photoprotein from apoprotein, coelenterazine and molecular oxygen, we investigated the spectral properties of the anaerobic apo‐obelin–coelenterazine complex and the kinetics of its conversion into active photoprotein after exposure to air. Our studies suggest that coelenterazine bound within the anaerobic complex might be a mixture of N7‐protonated and C2(−) anionic forms, and that oxygen shifts the equilibrium in favor of the C2(−) anion as a result of peroxy anion formation. Proton removal from N7 and further protonation of peroxy anion and the resulting formation of 2‐hydroperoxycoelenterazine in obelin might occur with the assistance of His175. It is proposed that this conserved His residue might play a key role both in formation of active photoprotein and in Ca2+‐triggering of the bioluminescence reaction.
Reply to A Computational Evaluation of the Evidence for the Synthesis of 1,3‐Dimethylcyclobutadiene in Solid State and Aqueous Solution—Beyond the Experimental Reality
Authors: Legrand Yves‐Marie , Dumitrescu Dan , Gilles Arnaud , Petit Eddy , van der Lee Arie , Barboiu Mihail
Published: March 2013

Following earlier reports on the photochemical synthesis of 1,3‐dimethylcyclobutadiene8, 10 in a protective host matrix, theoretical calculations for the formation of that adduct have been recently performed by Rzepa.13 The author formulated criticisms based mainly on density functional theory calculations of 1H NMR spectra. According to Rzepa the calculated spectra do not correspond with our measured spectra, which leads him to the conclusion that our interpretation is wrong, and that mainly cyclobutadiene has not been stabilized or even synthesized; we believe, however, that the initial model that Rzepa used for his calculations does not correspond to chemical reality or is at the very least a crude simplification of it, which implies that his calculations cannot match, in every point, our experimental spectra. Rzepa′s simplified models might be ‘reasonable’ from the theoretical point of view; however, in the case of assessment in the solid state, the theoretical setup does not force the system to preserve the confined stabilizing space defined by the crystalline matrix for encapsulated hosts in the solid state. Inversely, in the case of solution modeling, the theoretical setup is too rigid to properly assess the complex equilibria occurring in solution and to accurately determine the NMR spectra of exchanging species in solution. The inconsistency between our experimental results and the results of the theoretical models proposed by Rzepa is such that his conclusions are considered to be too far from experimental reality. Accurate modeling taking in account “reasonable” experimental details would be a worthwhile endeavor.
In Situ Synthesis and Nonvolatile Rewritable‐Memory Effect of Polyaniline‐Functionalized Graphene Oxide
Authors: Zhang Bin , Chen Yu , Ren Yujie , Xu Li‐Qun , Liu Gang , Kang En‐Tang , Wang Cheng , Zhu Chun‐Xiang , Neoh Koon‐Gee
Published: March 2013

A new polyaniline (PANI)‐functionalized graphene oxide (GO‐PANI) was prepared by using an in situ oxidative graft polymerization of aniline on the surface of GO. Its highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), ionization potential (IP), and electron affinity (EA) values experimentally estimated by the onset of the redox potentials were −5.33, −3.57, 5.59, and 3.83 eV, respectively. A bistable electrical‐switching effect was observed in electronic device with the GO‐PANI film sandwiched between the indium tin oxide (ITO) and Al electrodes. This device exhibited two accessible conductivity states, that is, the low‐conductivity (OFF) state and the high‐conductivity (ON) state, and can be switched to the ON state under a negative electrical sweep, and can also be reset to the initial OFF state by a reverse (positive) electrical sweep. The ON state is nonvolatile and can withstand a constant voltage stress of −1 V for 3 h and 108 read cycles at −1 V under ambient conditions. The nonvolatile nature of the ON state and the ability to write, read, and erase the electrical states, fulfill the functionality of a rewritable memory. An ON/OFF current ratio of more than 104 at −1 V achieved in this memory device is high enough to promise a low misreading rate through the precise control of the ON and OFF states. The mechanism associated with the memory effects was elucidated from molecular simulation results.
Annelated Pyridines as Highly Nucleophilic and Lewis Basic Catalysts for Acylation Reactions
Authors: Tandon Raman , Unzner Teresa , Nigst Tobias A. , De Rycke Nicolas , Mayer Peter , Wendt Bernd , David Olivier R. P. , Zipse Hendrik
Published: March 2013

New heterocyclic derivatives of 9‐azajulolidine have been synthesized and characterized with respect to their nucleophilicity and Lewis basicity. The Lewis basicity of these bases as quantified through their theoretically calculated methyl‐cation affinities correlate well with the experimentally measured reaction rates for addition to benzhydryl cations. All newly synthesized pyridines show exceptional catalytic activities in benchmark acylation reactions, which correlate only poorly with Lewis basicity or nucleophilicity parameters. A combination of Lewis basicity with charge and geometric parameters in the framework of a three‐component quantitative structure–activity relationship (QSAR) model is, however, highly predictive.
Targeted Tumor Computed Tomography Imaging Using Low‐Generation Dendrimer‐Stabilized Gold Nanoparticles
Authors: Liu Hui , Xu Yanhong , Wen Shihui , Chen Qian , Zheng Linfeng , Shen Mingwu , Zhao Jinglong , Zhang Guixiang , Shi Xiangyang
Published: March 2013

We report a facile approach to fabricating low‐generation poly(amidoamine) (PAMAM) dendrimer‐stabilized gold nanoparticles (Au DSNPs) functionalized with folic acid (FA) for in vitro and in vivo targeted computed tomography (CT) imaging of cancer cells. In this study, amine‐terminated generation 2 PAMAM dendrimers were employed as stabilizers to form Au DSNPs without additional reducing agents. The formed Au DSNPs with an Au core size of 5.5 nm were covalently modified with the targeting ligand FA, followed by acetylation of the remaining dendrimer terminal amines to endow the particles with targeting specificity and improved biocompatibility. Our characterization data show that the formed FA‐modified Au DSNPs are stable at different pH values (5—8) and temperatures (4–50 °C), as well as in different aqueous media. MTT assay data along with cell morphology observations reveal that the FA‐modified Au DSNPs are noncytotoxic in the particle concentration range of 0–3000 nM. X‐ray attenuation coefficient measurements show that the CT value of FA‐modified Au DSNPs is much higher than that of Omnipaque (a clinically used CT contrast agent) at the same concentration of the radiodense elements (Au or iodine). Importantly, the FA‐modified Au DSNPs are able to specifically target a model cancer cell line (KB cells, a human epithelial carcinoma cell line) over‐expressing FA receptors and they enable targeted CT imaging of the cancer cells in vitro and the xenografted tumor model in vivo after intravenous administration of the particles. With the simple synthesis approach, easy modification, good cytocompatibility, and high X‐ray attenuation coefficient, the FA‐modified low‐generation Au DSNPs could be used as promising contrast agents for targeted CT imaging of different tumors over‐expressing FA receptors.
ChemInform Abstract: Hydrothermal Chemistry, Structures, and Luminescence Studies of Alkali Hafnium Fluorides.
Authors: Underwood Christopher C. , McMillen Colin D. , Chen Hongyu , Anker Jeffrey N. , Kolis Joseph W.
Published: March 2013

The alkali hafnium fluorides Li2HfF6 (I), Na5Hf2F13 (II), K2Hf3OF12 (III), K3HfOF5 (IV), and (NH4)3HfOF5 (V) are hydrothermally prepared from aqueous solutions of HfF4, LiF, NaF, KF, KHF2, RbF, or CsF (sealed Ag ampule, autoclave, 400—600 °C, several days).
ChemInform Abstract: [Ni(dien)2]3 [Ge3Sb8S21]·0.5H2O: A New 2‐D Layered Thiogermanate—Thioantimonate with Metal Complexes as Template Ions.
Authors: Zhou Jian , Liu Xing , Liang Guoming , Liang Weijiang , Hu Feilong , Zhu Ligang
Published: March 2013

The title compound (dien: diethylenetriamine) is solvothermally synthesized from a mixture of GeO2, Sb, S, Ni, and dien (sealed Pyrex tube, 170 °C, 10 d, 25% yield).
ChemInform Abstract: Microwave‐Assisted Synthesis, Microstructure, and Physical Properties of Rare‐Earth Chromites.
Authors: Prado‐Gonjal Jesus , Schmidt Rainer , Romero Juan‐Jose , Avila David , Amador Ulises , Moran Emilio
Published: March 2013

The full rare earth chromite series LnCrO3 and the isostructural compound YCrO3 are prepared from mixtures of appropriate amounts of Cr(NO3)3 and Ln(NO3)3 with amorphous carbon as microwave absorber (porcelain crucible, microwave irradiation for 10 min, followed by heating at 500 and 800 °C for 2 h each, and sintering at 1300 °C for 15 h).
ChemInform Abstract: Time‐Resolved Assembly of Chiral Uranyl Peroxo Cage Clusters Containing Belts of Polyhedra.
Authors: Qiu Jie , Nguyen Kevin , Jouffret Laurent , Szymanowski Jennifer E. S. , Burns Peter C.
Published: March 2013

The reaction of UO2(NO3)2, H3PO3, K2(EDTA), H2O2, and Et4NOH in aqueous solution (room temperature, pH 6, 7 d) affords crystals of K14.73 [(UO2)22(O2)15 (HPO3)20(H2O)10] ·38H2O (I) and K12 [(UO2)14(O2)10 (HPO3)12(H2O)6] ·22H2O (II) in yields of 10 and 35%, respectively.
ChemInform Abstract: Ionothermal Synthesis of Four New Nickel Thiophosphate Anions: [Ni(P2S8)2]2‐, [Ni(P3S9)(P2S8)]3‐, [Ni(P3S9)2]4‐, and [(NiP3S8)4(PS4)]7‐.
Authors: Cody Jason A. , Finch Kenneth B. , Reynders Gilbert J. III , Alexander Grant C. B. , Lim Hyung G. , Naether Christian , Bensch Wolfgang
Published: March 2013

Compounds (IV)—(VII) are ionothermally prepared from the elements and their structures are determined by single crystal XRD.
ChemInform Abstract: Iminium Ion Catalysis: The Enantioselective Friedel—Crafts Alkylation—Acetalization Cascade of Naphthols with α,β‐Unsaturated Cyclic Ketones.
Authors: Paradisi Enrico , Righi Paolo , Mazzanti Andrea , Ranieri Silvia , Bencivenni Giorgio
Published: March 2013

A combination of a cinchona alkaloid derived amine and 5‐nitrosalicylic acid is an efficient catalyst system for the enantioselective synthesis of polycyclic derivatives (III), (VII), (VIII), and (X) by a Friedel—Crafts alkylation—acetalization of naphtols (I) and (VI) with cyclohexenones and cycloheptenone.
ChemInform Abstract: A Unique Ruthenium Carbyne Complex: A Highly Thermo‐Endurable Catalyst for Olefin Metathesis.
Authors: Shao Mingbo , Zheng Lu , Qiao Weixia , Wang Jingjing , Wang Jianhui
Published: March 2013

This is the first ruthenium‐carbyne catalyst capable of catalyzing ring‐closing metathesis reactions.
ChemInform Abstract: Ruthenium‐ and Rhodium‐Catalyzed Cross‐Coupling Reaction of Acrylamides with Alkenes: Efficient Access to (Z,E)‐Dienamides.
Authors: Zhang Jian , Loh Teck‐Peng
Published: March 2013

The Rh‐ or Ru‐catalyzed oxidative cross‐coupling of acrylamides with alkenes affords (Z,E)‐dienamides as main products with high selectivity in most cases (20 examples for Rh‐catalyzed reaction, 25 examples for Ru‐catalyzed cross‐coupling).
ChemInform Abstract: Gold‐Catalyzed Functionalization of Unactivated C(sp3)—H Bonds by Hydride Transfer Facilitated by Alkynylspirocyclopropanes.
Authors: Barluenga Jose , Sigueiro Rita , Vicente Ruben , Ballesteros Alfredo , Tomas Miguel , Rodriguez Miguel A.
Published: March 2013

The 1,5‐hydride transfer of alkynylcyclopropanes bearing a spiran core is investigated under different conditions: pentalene derivatives or bicyclic systems are formed.
ChemInform Abstract: Photo‐fluorodecarboxylation of 2‐Aryloxy and 2‐Aryl Carboxylic Acids.
Authors: Leung Joe C. T. , Chatalova‐Sazepin Claire , West Julian G. , Rueda‐Becerril Montserrat , Paquin Jean‐Francois , Sammis Glenn M.
Published: March 2013

Photolysis of the title compounds in the presence of Selectfluor results in decarboxylative fluorination to afford fluoromethyl ethers and benzyl fluorides.
ChemInform Abstract: The ortho‐ and meta‐Magnesiation of Funtionalized Anilines and Amino‐Substituted Pyridines and Pyrazines at Room Temperature.
Authors: Monzon Gabriel , Tirotta Ilaria , Knochel Paul
Published: March 2013

The directed magnesiation of a broad spectrum of nitrogen substrates is studied to afford a variety of functionalized derivatives after quenching with electrophiles.
ChemInform Abstract: A Novel Regioselective Method for Aminostilbene Preparation — The Role of Sodium Azide.
Authors: Janowska Katarzyna , Matczak Rafal , Zakrzewski Jacek , Krawczyk Hanna
Published: March 2013

Sodium azide reacts regiospecifically with the ortho‐NO2 group of 2,4‐dinitrostilbenes (I) to provide the 2‐amino‐4‐nitrostilbenes (II) as the sole products in good yields.
ChemInform Abstract: Combined α,α‐Dialkylprolinol Ether/Broensted Acid Promotes Mannich Reactions of Aldehydes with Unactivated Imines. An Entry to anti‐Configured Propargylic Amino Alcohols.
Authors: Gomez‐Bengoa Enrique , Jimenez Jacqueline , Lapuerta Irati , Mielgo Antonia , Oiarbide Mikel , Otazo Itziar , Velilla Irene , Vera Silvia , Palomo Claudio
Published: March 2013

A series of amino alcohols (III) and (IX) is prepared with 80—98% diastereomeric excess using a hitherto not reported enamine‐mediated antiselective Mannich reaction of corresponding imines with aldehydes (II).
ChemInform Abstract: Organocatalytic Conjugate Addition of α‐Nitroacetates to β,γ‐Unsaturated α‐Keto Esters and Subsequent Decarboxylation: Synthesis of Optically Active δ‐Nitro‐α‐keto Esters.
Authors: Lu Rui‐jiong , Wei Wen‐tao , Wang Jin‐jia , Nie Shao‐zhen , Zhang Xue‐jing , Yan Ming
Published: March 2013

Pyrrolidine‐based thiourea‐tertiary amine PTU is used as an efficient organocatalyst for the title reaction.
ChemInform Abstract: Synthesis of Aromatic α‐Aminoesters: Palladium‐Catalyzed Long‐Range Arylation of Primary Csp3—H Bonds.
Authors: Aspin Sam , Goutierre Anne‐Sophie , Larini Paolo , Jazzar Rodolphe , Baudoin Olivier
Published: March 2013

The reaction with aryl bromides proceeds selectively at the terminal position of linear alkyl chains.
ChemInform Abstract: Ullmann Homocoupling Catalyzed by Gold Nanoparticles in Water and Ionic Liquid.
Authors: Monopoli Antonio , Cotugno Pietro , Palazzo Gerardo , Ditaranto Nicoletta , Mariano Bruno , Cioffi Nicola , Ciminale Francesco , Nacci Angelo
Published: March 2013

The gold nanoparticle catalyst is prepared in situ from gold(III) acetate with glucose as reducing agent.
ChemInform Abstract: Flow Synthesis of Arylboronic Esters Bearing Electrophilic Functional Groups and Space Integration with Suzuki—Miyaura Coupling without Intentionally Added Base.
Authors: Nagaki Aiichiro , Moriwaki Yuya , Yoshida Jun‐ichi
Published: March 2013

The synthesis of boronic esters (III) proceeds readily in a flow microreactor by a halogen‐lithium exchange reaction of aryl halides and a subsequent borylation of aryllithium intermediates (12 examples).
ChemInform Abstract: An Efficient Route to Polysubstituted Tetrahydronaphthols: Silver‐Catalyzed [4 + 2] Cyclization of 2‐Alkylbenzaldehydes and Alkenes.
Authors: Zhu Shifa , Liang Renxiao , Jiang Huanfeng , Wu Wanqing
Published: March 2013

An efficient protocol is developed for the diastereoselective synthesis of a broad spectrum of ring systems, which represent substructures of biologically active natural products.
ChemInform Abstract: Gold Vinylidene Complexes. Intermolecular C(sp3)—H Insertions and Cyclopropanations Pathway.
Authors: Hashmi A. Stephen K. , Wieteck Marcel , Braun Ingo , Rudolph Matthias , Rominger Frank
Published: March 2013

Cyclization of diyne (II) in the presence of gold complexes (Ia)/(Ib) results in formation of a highly reactive vinylidene intermediate which is treated with alkenes to yield a series of annulated ring systems containing a cyclobutane moiety.
ChemInform Abstract: Chemoselective Synthesis of Naphthylamides and Isoquinolinones via Rhodium‐Catalyzed Oxidative Dehydrogenative Annulation of Benzamides with Alkynes.
Authors: Shi Zhuangzhi , Tang Conghui , Jiao Ning
Published: March 2013

Depending on the reaction conditions this method can be used to synthesize naphthalene derivatives (III) as well as benzo[h]isoquinoline derivatives (VI).
ChemInform Abstract: Synthesis of Indenes via Broensted Acid Catalyzed Cyclization of Diaryl‐ and Alkyl Aryl‐1,3‐dienes.
Authors: Eom Dahan , Park Sangjune , Park Youngchul , Ryu Taekyu , Lee Phil Ho
Published: March 2013

The title reaction allows mild and efficient access to a number of indenes.
ChemInform Abstract: Chiral Schiff Base Ligated Dioxomolybdenum (VI) Complexes and Their Asymmetric Catalytic Properties in the Epoxidation of Styrene.
Authors: Sui Yan , Liu Dongsheng , Hu Ronghua , Que Xiaobo
Published: March 2013

Complexes of type (I) are synthesized and characterized.
ChemInform Abstract: Lewis‐Acid‐Promoted Arylation Reaction: Synthesis of Dihydrobenzofuran Derivatives from Aryltriazenes.
Authors: Zhao Guoqing , Wang Binjie , Yang Weijun , Ren Hongjun
Published: March 2013

The title reaction proceeds under mild conditions with good tolerance of a variety of functional groups.
ChemInform Abstract: Synthesis of Hexahydroindoles by Intramolecular C(sp3)—H Alkenylation: Application to the Synthesis of the Core of Aeruginosins.
Authors: Sofack‐Kreutzer Julien , Martin Nicolas , Renaudat Alice , Jazzar Rodolphe , Baudoin Olivier
Published: March 2013

Regioselective intramolecular alkenylation of cycloalkenyl bromides offers a unique route to hexahydroindole derivatives.
ChemInform Abstract: Palladium‐Catalyzed Cross‐Coupling of 1‐Aminoazoles with Aryl Chlorides: Application to the Synthesis of Unsymmetrical N,N‐Diaryl‐1‐aminoindoles.
Authors: Brachet Etienne , Messaoudi Samir , Peyrat Jean‐Francois , Brion Jean‐Daniel , Alami Mouad
Published: March 2013

This is a selective mono‐N‐arylation of 1‐aminoindoles to give compounds (III), which can undergo a second N‐arylation to yield compounds (IX).
ChemInform Abstract: Palladium‐Catalyzed Cyclization of β‐Bromo‐α,β‐unsaturated Ketones with Arylhydrazines Leading to 3‐Substituted 1‐Aryl‐1H‐pyrazoles.
Authors: Lee Hye Kyung , Cho Chan Sik
Published: March 2013

The title reaction provides a promising method for the synthesis of valuable heterocycles from readily available simple ketones.
ChemInform Abstract: Synthesis of New Pyrazolines and Their Biological Evaluation as Antimicrobial Agents.
Authors: Ben Hamadi Naoufel , Haouas Amel , Methamem Mahbouba , Msaddek Moncef
Published: March 2013

Novel pyrazolines (III) and (V) are prepared via 1,3‐dipolar cycloaddition of diazo compounds to alkynes (I).
ChemInform Abstract: Catalyst‐Controlled Chemoselective Arylation of 2‐Aminobenzimidazoles.
Authors: Ueda Satoshi , Buchwald Stephen L.
Published: March 2013

An orthogonal set of conditions for the selective arylation steps is developed.
ChemInform Abstract: A General and Efficient Palladium‐Catalyzed Carbonylative Synthesis of 2‐Aryloxazolines and 2‐Aryloxazines from Aryl Bromides.
Authors: Wu Xiao‐Feng , Neumann Helfried , Neumann Stephan , Beller Matthias
Published: March 2013

A wide range of aromatic and heteroaromatic bromides is applied.
ChemInform Abstract: 2,6‐Disubstituted Imidazo[2,1‐b][1,3,4]thiadiazoles: Search for Anticancer Agents.
Authors: Noolvi Malleshappa N. , Patel Harun M. , Kamboj Sarita , Kaur Amandeep , Mann Vikas
Published: March 2013

A variety of novel title heterocycles (III) (34 examples) are synthesized and selected derivatives are screened for their cytotoxicity.
ChemInform Abstract: Enantioselective Construction of Sterically Hindered Tertiary α‐Aryl Ketones: A Catalytic Asymmetric Synthesis of Isoflavanones.
Authors: Carroll Michael P. , Mueller‐Bunz Helge , Guiry Patrick J.
Published: March 2013

Substrates (I) are prepared by arylation of β‐ketoesters with aryl lead triacetates.
ChemInform Abstract: Synthesis of 2‐Aryl‐3‐hydroxymethyl‐5,5‐difluoropiperidines.
Authors: Moens Matthias , Verniest Guido , De Schrijver Matthias , ten Holte Peter , Thuring Jan‐Willem , Deroose Frederik , De Kimpe Norbert
Published: March 2013

Title compounds, e.g (V), are prepared as potential building blocks in medicinal chemistry.
ChemInform Abstract: Domino Cyclocondensation of Arylaldehydes with 2‐Acetylpyridine.
Authors: Chang Meng‐Yang , Wu Ming‐Hao
Published: March 2013

Base‐mediated reaction of benzaldehydes with 3 equivalents of 2‐acetylpyridine affords cyclohexane derivatives (III) (22 examples) in excellent regio‐ and stereoselectivity via a one‐pot domino Claisen—Schmidt condensation/Michael addition/double aldol reaction sequence.
ChemInform Abstract: A Simple and Expedient Synthesis of Functionalized Pyrido[2,3‐c] Coumarin Derivatives Using Molecular Iodine Catalyzed Three‐Component Reaction.
Authors: Khan Abu T. , Das Deb K. , Islam Kobirul , Das Pradipta
Published: March 2013

Optimized conditions allow the preparation of the pharmaceutically important heterocyclic system in good to excellent yields.
ChemInform Abstract: Synthesis and in vitro and in vivo Anticancer Activity of Novel 3‐Methyl‐5H‐isoxazolo[5′,4′:5,6]pyrido[2,3‐b]indoles.
Authors: Rajanarendar E. , Reddy K. Govardhan , Ramakrishna S. , Reddy M. Nagi , Shireesha B. , Durgaiah G. , Reddy Y. N.
Published: March 2013

The in vivo and in vitro screening of the title compounds (IV) (8 examples) for their anticancer activities shows that compounds (IVb) and (IVd) exhibit potential anticancer activities as compared with the reference compound Cisplatin.
ChemInform Abstract: Convenient Synthesis of 2,4‐Disubstituted Pyrido[2,3‐d]pyrimidines via Regioselective Palladium‐Catalyzed Reactions.
Authors: Riadi Yassine , Massip Stephane , Leger Jean‐Michel , Jarry Christian , Lazar Said , Guillaumet Gerald
Published: March 2013

A novel and efficient route for the synthesis of the rare title compounds (V) is reported by sequential coupling involving a regioselective chlorine discrimination.
ChemInform Abstract: Fe3O4 Nanoparticle‐Supported Copper(I): Magnetically Recoverable and Reusable Catalyst for the Synthesis of Quinazolinones and Bicyclic Pyrimidinones.
Authors: Yu Lin , Wang Min , Li Pinhua , Wang Lei
Published: March 2013

The developed catalyst exhibits excellent reactivity in the title synthesis and can be recycled over ten times in reactions without any obvious loss in its activity.
ChemInform Abstract: One‐Pot Three‐Component Synthesis of 1,4‐Bis[thiazolo[4,5‐d]pyrimidin‐7(6H)‐one]piperazine Derivatives.
Authors: Fang Zheng Dong , Wei Xian Hong
Published: March 2013

The domino process involves an aza‐Wittig reaction followed by heterocyclization in the presence of sodium ethoxide.
ChemInform Abstract: Novel 3‐Substituted‐1‐aryl‐5‐phenyl‐6‐anilinopyrazolo[3,4‐d]pyrimidin‐4‐ones: Docking, Synthesis and Pharmacological Evaluation as a Potential Antiinflammatory Agents.
Authors: Yewale Sandeep B. , Ganorkar Saurabh B. , Baheti Kamalkishor G. , Shelke Rupesh U.
Published: March 2013

Compound (IIf) shows superior anti‐inflammatory activity in comparison with diclophenac sodium and comparable activity with celecoxib at a dose of 25mg/kg and its COX‐2 docking score is found to be better than the standard celecoxib.
ChemInform Abstract: AgNO3 Mediated C—N Bond Forming Reaction: Synthesis of 3‐Substituted Benzothiazines as Potential COX Inhibitors.
Authors: Rambabu D. , Murthy P. V. N. S. , Prasad K. R. S. , Kandale Ajit , Deora Girdhar Singh , Rao M. V. Basaveswara , Pal Manojit
Published: March 2013

Based on the oxicam family of anti‐inflammatory agents, benzothiazines devoid of an enolic hydroxyl group are designed and synthesized.
ChemInform Abstract: Three Practical Approaches for the Synthesis of Novel 4,7‐Dihetarylpyrazolo[1,5‐a][1,3,5]triazines.
Authors: Insuasty Henry , Insuasty Braulio , Castro Edison , Quiroga Jairo , Abonia Rodrigo , Nogueras Manuel , Cobo Justo
Published: March 2013

Best results are achieved by reaction of S,S‐diethyl thiocarbonates (I) with aminopyrazoles (II) under neat conditions and microwave irradiation.
ChemInform Abstract: Palladium‐Catalyzed Double N‐Arylation to Synthesize Multisubstituted Dibenzoazepine Derivatives.
Authors: Zhang Xiaoyun , Yang Yuan , Liang Yun
Published: March 2013

Various bis(2‐bromophenyl)ethenes are treated with primary aromatic and aliphatic amines to produce medicinally interesting functionalized systems.
ChemInform Abstract: Iridium‐Catalyzed Enantioselective Allylation of Sodium 2‐Aminobenzenethiolate: An Access to Chiral Benzo‐Fused N,S‐Heterocycles.
Authors: Gao Ning , Guo Xin‐Wen , Zheng Sheng‐Cai , Yang Wei‐Kang , Zhao Xiao‐Ming
Published: March 2013

Allylation of sodium aminobenzenethiolates (I) with a range of methyl allyl carbonates predominantly give branched products with high regio‐ and enantioselectivities.
ChemInform Abstract: One‐Pot C—N/C—C Cross‐Coupling of Methyliminodiacetic Acid Boronyl Arenes Enabled by Protective Enolization.
Authors: Grob Jonathan E. , Dechantsreiter Michael A. , Tichkule Ritesh B. , Connolly Michael K. , Honda Ayako , Tomlinson Ronald C. , Hamann Lawrence G.
Published: March 2013

In the presence of PAP and K3PO4 or LiHMDS, boronyl arenes undergo convenient amination to afford a wide range of arylamines.
ChemInform Abstract: Tinospinosides D, E, and Tinospin E, Further Clerodane Diterpenoids from Tinospora sagittata
Authors: Huang Chao , Li Wei , Ma Fenghua , Li Qin , Asada Yoshihisa , Koike Kazuo
Published: March 2013

isolation, structure determination and evaluation of the inhibitory activity of the novel tinospinosides D (I), E (IIa), and tinospin E (IIb) on nitric oxide production in lipopolysaccharide and interferon‐γ activated J774.1 macrophage‐like cells
ChemInform Abstract: Minor Withanolides of Physalis longifolia: Structure and Cytotoxicity.
Authors: Zhang Huaping , Motiwala Hashim , Samadi Abbas , Day Victor , Aube Jeffrey , Cohen Mark , Kindscher Kelly , Gollapudi Rao , Timmermann Barbara
Published: March 2013

Two new minor withanolides, i.e.
ChemInform Abstract: Diarylheptanoid Glycosides from Tacca plantaginea and Their Effects on NF‐ϰB Activation and PPAR Transcriptional Activity.
Authors: Kim Young Ho , et al. et al.
Published: March 2013

isolation, structure determination and biological activity of two new diarylheptanoid glycosides, plantagineosides A (I) and B (II), an unusual cyclic diarylheptanoid glycoside, plantagineoside C (II), and three known compounds
ChemInform Abstract: Synthesis and Characterization of Thiazolo‐ and Thiazinomorphinans and Their Intermediate Products as Novel Opioid‐Active Derivatives.
Authors: Sipos Attila , Follia Valeria , Berenyi Sandor , Antus Sandor , Schmidhammer Helmut , Spetea Mariana
Published: March 2013

The two most potent derivatives (V) and (XI) are further examinated in ligand‐stimulated [35S]GTPγS assays.
ChemInform Abstract: First Total Synthesis of Prasinic Acid and Its Anticancer Activity.
Authors: Chakor Narayan , Patil Ganesh , Writer Diana , Periyasamy Giridharan , Sharma Rajiv , Roychowdhury Abhijit , Mishra Prabhu Dutt
Published: March 2013

A ten‐step synthesis of prasinic acid (I) starting from readily available and cheap materials is presented.
ChemInform Abstract: Electrocatalysis of Inorganic Reactions: Pure Platinum Surfaces
Authors: Schmidt Thomas J. , Markovic Nenad M.
Published: March 2013

Review: 112 refs.
ChemInform Abstract: A Critical Evaluation and Thermodynamic Optimization of the CaO‐CaF2 System
Authors: Kim Dong‐Geun , Van Ende Marie‐Aline , Van Hoek Corrie , Liebske Christian , Van Der Laan Sieger , Jung In‐Ho
Published: March 2013

Review: 37 refs.
ChemInform Abstract: Beyond Spheres: Murphy′s Silver Nanorods and Nanowires
Authors: Zhang Qiao , Yin Yadong
Published: March 2013

Review: 27 refs.
ChemInform Abstract: Rhodium and Copper‐Catalyzed Asymmetric Conjugate Addition of Alkenyl Nucleophiles
Authors: Mueller Daniel , Alexakis Alexandre
Published: March 2013

Review: 86 refs.
ChemInform Abstract: Cavity‐Containing, Backbone‐Rigidified Foldamers and Macrocycles
Authors: Yamato Kazuhiro , Kline Mark , Gong Bing
Published: March 2013

Review: synthesis and characterization; 101 refs.
ChemInform Abstract: Ionic Ozonides — From Simple Inorganic Salts to Supramolecular Building Blocks
Authors: Nuss Hanne , Jansen Martin
Published: March 2013

Review: 56 refs.
ChemInform Abstract: Ultra‐High Pressure as a Green and Promising Tool in Glycochemistry
Authors: Thomassigny Christine , Sineriz Fernando , Greck Christine , Dumas Francoise
Published: March 2013

Review: 65 refs.
ChemInform Abstract: Organoindium Reagents: The Preparation and Application in Organic Synthesis
Authors: Shen Zhi‐Liang , Wang Shun‐Yi , Chok Yew‐Keong , Xu Yun‐He , Loh Teck‐Peng
Published: March 2013

Review: 1054 refs.
ChemInform Abstract: Quinquevalent Phosphorus Acids
Authors: Balczewski Piotr , Skalik Joanna
Published: March 2013

Review: 217 refs.
ChemInform Abstract: Tervalent Phosphorus Acid Derivatives
Authors: Groombridge H. J.
Published: March 2013

Review: 356 refs.
ChemInform Abstract: Phosphines and Related P—C Bonded Compounds
Authors: Allen D. W.
Published: March 2013

Review: 595 refs.
ChemInform Abstract: The Future of Biomedical Imaging: Synthesis and Chemical Properties of the DTPA and DOTA Derivative Ligands and Their Complexes
Authors: Brucher E. , Baranyai Zs. , Tircso Gy.
Published: March 2013

Review: 231 refs.
ChemInform Abstract: Alkenylation of Furans via Dehydrogenative Heck Reaction
Authors: Le Bras Jean , Muzart Jacques
Published: March 2013

Review: 43 refs.
ChemInform Abstract: Furan: Synthesis, Functions, and Control
Authors: Sabounchei Seyyed Javad , Bagherjeri Fateme Akhlaghi , Panahimehr Mohammad
Published: March 2013

Review: 103 refs.
ChemInform Abstract: Trifluoromethanesulfonamides and Related Compounds
Authors: Shainyan Bagrat A. , Tolstikova Ljudmila L.
Published: March 2013

Review: 440 refs.
ChemInform Abstract: Radical Cascades Initiated by Intermolecular Radical Addition to Alkynes and Related Triple Bond Systems
Authors: Wille Uta
Published: March 2013

Review: 319 refs.
ChemInform Abstract: Microwave‐Assisted Reactions in Organic Chemistry. Recent Advances
Authors: Jacob Jolly
Published: March 2013

Review: 124 refs.
ChemInform Abstract: Activation of the Si—B Interelement Bond: Mechanism, Catalysis, and Synthesis
Authors: Oestreich Martin , Hartmann Eduard , Mewald Marius
Published: March 2013

Review: 148 refs.
ChemInform Abstract: General Amination Reactions for the Synthesis of Ynamides
Authors: Evano Gwilherm , Jouvin Kevin , Coste Alexis
Published: March 2013

Review: about 100 refs.
ChemInform Abstract: Organocatalytic Asymmetric Synthesis and Use of Organoselenium Compounds
Authors: Marini Francesca , Sternativo Silvia
Published: March 2013

Review: about 50 refs.
ChemInform Abstract: Secondary Metabolites and Biological Properties of Gesneriaceae Species
Authors: Verdan Maria Helena , Stefanello Maria Elida Alves
Published: March 2013

Review: 145 refs.
ChemInform Abstract: Molecular Diversity Sculpted by Fungal PKS—NRPS Hybrids
Authors: Boettger Daniela , Hertweck Christian
Published: March 2013

Review: 121 refs.
ChemInform Abstract: Phthalocyanine—Porphyrin Heteroarrays: A Perfect Marriage Between Two Unique Macrocycles
Authors: Bottari Giovanni , de la Torre Gema , Guldi Dirk M. , Torres Tomas
Published: March 2013

Review: 131 refs.
ChemInform Abstract: Computer‐Aided Molecular Design of Ionic Liquids: An Overview
Authors: Weis Derick C. , MacFarlane Douglas R.
Published: March 2013

Review: 89 refs.
Spectroscopic Studies on Nicotine and Nornicotine in the UV Region
Authors: Clayton Peter M. , Vas Carl A. , Bui Tam T.T. , Drake Alex F. , McAdam Kevin
Published: March 2013

The UV absorption and electronic circular dichroism (ECD) spectra of (R)‐ and (S)‐nicotine and (S)‐nornicotine in aqueous solution were measured to a significantly lower wavelength range than previously reported, allowing the identification of four previously unobserved electronic transitions. The ECD spectra of the two enantiomers of nicotine were equal in magnitude and opposite in sign, while the UV absorption spectra were coincidental. In line with previous observations, (S)‐nicotine exhibited a negative cotton effect centered on 263 nm with vibronic structure (π–π1* transition) and a broad, positive ECD signal at around 240 nm associated with the n–π1* transition. As expected this band disappeared when the pyridyl aromatic moiety was protonated. Four further electronic transitions are reported between 215 and 180 nm; it is proposed the negative maxima around 206 nm is either an n–σ* transition or a charge transfer band resulting from the movement of charge from the pyrrolidyl N lone pair to the pyridyl π* orbital. The pyridyl π–π2* transition may be contained within the negative ECD signal envelope at around 200 nm. Another negative maximum at 188 nm is thought to be the pyridyl π–π3* transition, while the lowest wavelength end‐absorption and positive ECD may be associated with the π–π4* transition. The UV absorption spectra of (S)‐nornicotine was similar to that of (S)‐nicotine in the range 280–220 nm and acidification of the aqueous solution enhanced the absorption. The ECD signals of (S)‐nornicotine were considerably less intense compared to (S)‐nicotine and declined further on acidification; in the far UV region the ECD spectra diverge considerably. Chirality 25:288–293, 2013. © 2013 Wiley Periodicals, Inc.
Biosynthesis of Silver Nanoparticles by Septoria apii and Trichoderma koningii
Authors: Huang Weidong , Yan Jingjing , Wang Yue , Hou Cailing , Dai Tianchun , Wang Zhimin
Published: March 2013

Silver nanoparticles were synthesized by Septoria apii and Trichoderma koningii for the first time and characterized systematically.
Calcined Mg‐Al Layered Double Hydroxide as a Heterogeneous Catalyst for the Synthesis of Urea Derivatives from Amines and CO2
Authors: Zhang Ran , Hua Li , Guo Li , Song Baoning , Chen Jizhong , Hou Zhenshan
Published: March 2013

The calcined Mg‐Al layered double hydroxides (LDHs) with a Mg/Al molar ratio of 3:1 were synthesized and characterized thoroughly by X‐ray diffraction (XRD), temperature‐programmed desorption (TPD) of CO2, and thermogravimetric analysis (TGA). Thus the calcined Mg‐Al LDHs were used as catalyst for the catalytic synthesis of disubstituted ureas from amines and CO2. The effects of reaction time, reaction temperature, pressure, solvent and calcined temperature on activity have been investigated. The results indicated that aliphatic amines, cyclohexylamine and benzylamine can be converted to the corresponding ureas selectively over the calcined Mg‐Al LDHs catalysts with N‐methyl‐2‐pyrrolidone (NMP) as solvent without using any dehydrating regent. The catalyst can be recycled several times with only slight loss of activity.
Aza‐Belluš‐Claisen Rearrangement‐Enabled Synthesis of Racemic Tapentadol and Its Stereoisomers
Authors: Bai Donghu , Huang Sha‐Hua , Lin Zuming , Yang Lin , Dai Junzeng , Huang Meng‐Yuan , Jia Xueshun , Hong Ran
Published: March 2013

A concise synthesis of racemic Tapentadol and its stereoisomers was presented. The key step was a TiCl4·THF2‐catalzyed aza‐Belluš‐Claisen rearrangement to create two vicinal tertiary carbon stereogenic centers. The subsequent reduction of amide and hydrogenation of alkene delivered Tapentadol and its stereoisomers. The current approach offers a practical synthetic route to access this class of pharmaceutically significant molecules.
Frequency of Severe Valvular Disease Caused by Mediastinal Radiation Among Patients Undergoing Valve Surgery in a Community‐Based, Regional Academic Medical Center
Authors: Copeland Kevin A. , Hosmane Vinay R. , Jurkovitz Claudine , Kolm Paul , Bowen Jim , DiSabatino Angela , Banbury Michael K. , Strasser Jon F. , Weintraub William S. , Doorey Andrew J.
Published: March 2013

Background

Our goal was to define the prevalence of radiation‐induced valvular heart (RIVD) disease among patients undergoing cardiac valve surgery in a community‐based, regional academic medical center. Mediastinal radiation is a treatment modality for various hematologic and solid malignancies; however, long‐term cardiac complications, including radiation‐induced valvular heart disease, can occur years after the radiation treatments.

Hypothesis

Mediastinal radiation exposure is an independent risk factor for valvular heart disease often necessitating valve replacement in patients without other risk factors for valve disease.

Methods

Between January 1, 1998 and September 1, 2007, we retrospectively analyzed our institution's cardiac surgical database over a 10 year period and identified 189 consecutive patients ≤ 50 years of age who underwent valve surgery. Using case‐control matching, we assessed the prevalence of mediastinal radiation among these young patients with valve disease necessitating surgery and to their matched controls from all patients admitted to the hospital.

Results

Nine individuals (4.8%) were identified as having received previous mediastinal radiation, significantly increased from controls (p<0.0001), and 8 of whom had surgical or pathologic findings consistent with radiation damage. Compared with a matched case‐control population, individuals who had severe valve disease and underwent valve replacement had a markedly increased prevalence of prior mediastinal radiation therapy.

Conclusions

In conclusion, cardiologists must remain aware of the potential long term valvular complications in patients treated with mediastinal radiation. Increased surveillance for RIVD may be considered in the decades following radiation therapy.
Cost‐Effectiveness of Dabigatran Compared With Warfarin for Stroke Prevention in Patients With Atrial Fibrillation—A Real Patient Data Analysis in a Hong Kong Teaching Hospital
Authors: Chang Andy M. , Ho Jason C. S. , Yan Bryan P. , Yu Cheuk Man , Lam Yat Yin , Lee Vivian W. Y.
Published: March 2013

Background

To compare the management cost and cost‐effectiveness of dabigatran with warfarin in patients with nonvalvular atrial fibrillation (AF) from the hospital's and patients' perspectives.

Hypothesis

Dabigatran is more cost‐effective than warfarin for stroke prevention of AF in Hong Kong.

Methods

The analysis was performed in conjunction with a drug utilization evaluation of dabigatran study in a teaching hospital in Hong Kong. The study recruited 244 patients who received either dabigatran or warfarin for stroke prevention of AF. A cost‐effectiveness analysis was performed and was expressed as an incremental cost‐effectiveness ratio (ICER) in averting a cardiac event or a bleeding event. A sensitivity analysis was used on all relevant variables to test the robustness.

Results

From the hospital's perspective, the dabigatran group had a lower total cost of management than that of the warfarin group (median: US$421 vs US$1306, P < 0.001) (US$1 = HK$7.75) and was dominant over warfarin. From the patients' perspective, the total cost of management in the dabigatran group was higher than that in warfarin group (median: US$1751 vs US$70, P < 0.001), and the ICER in preventing a cardiac or bleeding event of dabigatran vs warfarin was estimated at US$68 333 and US$20 500, respectively. If dabigatran was subsidized by the hospital, a higher cost would be incurred by the hospital (median: US$1679 vs US$1306, ICER (cardiac and bleeding events): US$15 163 and US$4549, respectively).

Conclusions

The study favored dabigatran for stroke prophylaxis in patients with nonvalvular AF in Hong Kong under the current hospital's perspective and provided a reference for further comparisons under patient and subsidization perspectives.