bluuebunny/crossref_metadata_2025_split huggingface dataset:
Designing Cyclometalated Ruthenium(II) Complexes for Anodic Electropolymerization
Authors: Friebe Christian , Schulze Benjamin , Görls Helmar , Jäger Michael , Schubert Ulrich S. 
Published: January 2014

AbstractThe anodic electropolymerization of thiophene‐functionalized cyclometalated ruthenium(II) complexes is shown for the first time. Oxidative decomposition reactions can be overcome by modification of the involved redox potentials through the introduction of electron‐withdrawing substituents, namely nitro groups, at the cyclometalating phenyl ring. The generated functionalized ruthenium(II) complexes allow the electrochemical preparation of thin polymer films, which show a broad UV/Vis absorption as well as reversible redox switchability. The presented complexes are promising candidates for future photovoltaic applications based on photo‐redox‐active films.
Chemoselective and Direct Functionalization of Methyl Benzyl Ethers and Unsymmetrical Dibenzyl Ethers by Using Iron Trichloride
Authors: Sawama Yoshinari , Goto Ryota , Nagata Saori , Shishido Yuko , Monguchi Yasunari , Sajiki Hironao 
Published: January 2014

AbstractMethyl and benzyl ethers are widely utilized as protected alcohols due to their chemical stability, such as the low reactivity of the methoxy and benzyloxy groups as leaving groups under nucleophilic conditions. We have established the direct azidation of chemically stable methyl and benzyl ethers derived from secondary and tertiary benzyl alcohols. The present azidation chemoselectively proceeds at the secondary or tertiary benzylic positions of methyl benzyl ethers or unsymmetrical dibenzyl ethers and is also applicable to direct allylation, alkynylation, and cyanation reactions, as well as the azidation. The present methodologies provide not only a novel chemoselectivity but also the advantage of shortened synthetic steps, due to the direct process without the deprotection of the methyl and benzyl ethers.
Supramolecular ssDNA Templated Porphyrin and Metalloporphyrin Nanoassemblies with Tunable Helicity
Authors: Sargsyan Gevorg , Leonard Brian M. , Kubelka Jan , Balaz Milan 
Published: January 2014

AbstractFree‐base and nickel porphyrin–diaminopurine conjugates were formed by hydrogen‐bond directed assembly on single‐stranded oligothymidine templates of different lengths into helical multiporphyrin nanoassemblies with highly modular structural and chiroptical properties. Large red‐shifts of the Soret band in the UV/Vis spectroscopy confirmed strong electronic coupling among assembled porphyrin–diaminopurine units. Slow annealing rates yielded preferentially right‐handed nanostructures, whereas fast annealing yielded left‐handed nanostructures. Time‐dependent DFT simulations of UV/Vis and CD spectra for model porphyrin clusters templated on the canonical B‐DNA and its enantiomeric form, were employed to confirm the origin of observed chiroptical properties and to assign the helicity of porphyrin nanoassemblies. Molar CD and CD anisotropy g factors of dialyzed templated porphyrin nanoassemblies showed very high chiroptical anisotropy. The DNA‐templated porphyrin nanoassemblies displayed high thermal and pH stability. The structure and handedness of all assemblies was preserved at temperatures up to +85 °C and pH between 3 and 12. High‐resolution transition electron microscopy confirmed formation of DNA‐templated nickel(II) porphyrin nanoassemblies and their self‐assembly into helical fibrils with micrometer lengths.
Design of Ratiometric Fluorescent Probes Based on Arene–Metal‐Ion Interactions and Their Application to CdII and Hydrogen Sulfide Imaging in Living Cells
Authors: Takashima Ippei , Kinoshita Miyuki , Kawagoe Ryosuke , Nakagawa Saika , Sugimoto Manabu , Hamachi Itaru , Ojida Akio 
Published: January 2014

AbstractNon‐coordinative interactions between a metal ion and the aromatic ring of a fluorophore can act as a versatile sensing mechanism for the detection of metal ions with a large emission change of fluorophores. We report the design of fluorescent probes based on arene–metal‐ion interactions and their biological applications. This study found that various probes having different fluorophores and metal binding units displayed significant emission redshift upon complexation with metal ions, such as AgI, CdII, HgII, and PbII. X‐ray crystallography of the complexes confirmed that the metal ions were held in close proximity to the fluorophore to form an arene–metal‐ion interaction. Electronic structure calculations based on TDDFT offered a theoretical basis for the sensing mechanism, thus showing that metal ions electrostatically modulate the energy levels of the molecular orbitals of the fluorophore. A fluorescent probe was successfully applied to the ratiometric detection of the uptake of CdII ions and hydrogen sulfide (H2S) in living cells. These results highlight the utility of interactions between arene groups and metal ions in biological analyses.
Rhodium(III)‐Catalyzed CH Activation and Indole Synthesis With Hydrazone as an Auto‐Formed and Auto‐Cleavable Directing Group
Authors: Zheng Liyao , Hua Ruimao 
Published: January 2014

AbstractAn efficient, practical, and external‐oxidant‐free indole synthesis from readily available aryl hydrazines was developed, by using hydrazone as a directing group for RhIII‐catalyzed CH activation and alkyne annulation. The hydrazone group was formed by in situ condensation of hydrazines and CO source, whereas its NN bond was served as an internal oxidant, for which we termed it as an auto‐formed and auto‐cleavable directing group (DGauto). This method needs no step for pre‐installation and post‐cleavage of the directing group, making it a quite easily scalable approach to access unprotected indoles with high step economy. The DGauto strategy was also applicable for isoquinoline synthesis. In addition, synthetic utilities of this chemistry for rapid assembly of π‐extended nitrogen‐doped polyheterocycles and bioactive molecules were demonstrated.
α‐Fe2O3 Cubes with High Visible‐Light‐Activated Photoelectrochemical Activity towards Glucose: Hydrothermal Synthesis Assisted by a Hydrophobic Ionic Liquid
Authors: Xu Li , Xia Jiexiang , Wang Leigang , Qian Jing , Li Huaming , Wang Kun , Sun Kaiyong , He Minqiang 
Published: January 2014

AbstractA liquid/liquid interfacial reaction system was designed to fabricate α‐Fe2O3 cubes. The reaction system uses a hydrophobic ionic liquid containing iron ions ([(C8H17)2(CH3)2N]FeCl4) for manufacturing α‐Fe2O3 cubes by a novel and environmentally friendly hydrothermal method under low‐temperature conditions (140 °C). The iron‐containing ionic liquid is hydrophobic and can form a liquid/liquid interface with water, which is vital for fabrication of the α‐Fe2O3 cubes. Nanomaterials synthesized from hydrophobic iron‐containing ionic liquids show good crystallinity, well‐developed morphology, and uniform size. The effect of different ionic liquids on the morphology of α‐Fe2O3 was investigated in detail. [(C8H17)2(CH3)2N]FeCl4 is assumed to perform the triple role of forming a liquid/liquid interface with water and acting as reactant and template at the same time. The effect of the reaction temperature on the formation of the α‐Fe2O3 cubes was also studied. Temperatures lower or higher than 140 °C are not conducive to formation of the α‐Fe2O3 cubes. Their photoelectrochemical properties were tested by means of the transient photocurrent response of electrodes modified with as‐prepared α‐Fe2O3 cubes. The photocurrent response of an α‐Fe2O3 cubes/indium tin oxide electrode is high and stable, and it shows great promise as a photoelectrochemical glucose sensor with high sensitivity and fast response, which are beneficial to practical applications of nanosensors.
Trifluoroacetic Acid in 2,2,2‐Trifluoroethanol Facilitates SNAr Reactions of Heterocycles with Arylamines
Authors: Carbain Benoit , Coxon Christopher R. , Lebraud Honorine , Elliott Kristopher J. , Matheson Christopher J. , Meschini Elisa , Roberts Amy R. , Turner David M. , Wong Christopher , Cano Celine , Griffin Roger J. , Hardcastle Ian R. , Golding Bernard T. 
Published: January 2014

AbstractSmall‐molecule drug discovery requires reliable synthetic methods for attaching amino compounds to heterocyclic scaffolds. Trifluoroacetic acid‐2,2,2‐trifluoroethanol (TFA‐TFE) is as an effective combination for achieving SNAr reactions between anilines and heterocycles (e.g., purines and pyrimidines) substituted with a leaving group (fluoro‐, chloro‐, bromo‐ or alkylsulfonyl). This method provides a variety of compounds containing a “kinase‐privileged fragment” associated with potent inhibition of kinases. TFE is an advantageous solvent because of its low nucleophilicity, ease of removal and ability to solubilise polar substrates. Furthermore, TFE may assist the breakdown of the Meisenheimer–Jackson intermediate by solvating the leaving group. TFA is a necessary and effective acidic catalyst, which activates the heterocycle by N‐protonation without deactivating the aniline by conversion into an anilinium species. The TFA‐TFE methodology is compatible with a variety of functional groups and complements organometallic alternatives, which are often disadvantageous because of the expense of reagents, the frequent need to explore diverse sets of reaction conditions, and problems with product purification. In contrast, product isolation from TFA‐TFE reactions is straightforward: evaporation of the reaction mixture, basification and chromatography affords analytically pure material. A total of 45 examples are described with seven discrete heterocyclic scaffolds and 2‐, 3‐ and 4‐substituted anilines giving product yields that are normally in the range 50–90 %. Reactions can be performed with either conventional heating or microwave irradiation, with the latter often giving improved yields.
ChemInform Abstract: Structure, Sintering and Electrical Properties of New Ionic Conductor Ag4Co7(AsO4)6.
Authors: Marzouki R. , Guesmi A. , Georges S. , Zid M. F. , Driss A. 
Published: January 2014

AbstractAg4Co7(AsO4)6 is prepared by solid state reaction of a stoichiometric mixture of AgNO3, Co(NO3)2, and As2O5 (1.
ChemInform Abstract: Substitution of Conventional High‐Temperature Syntheses of Inorganic Compounds by Near‐Room‐Temperature Syntheses in Ionic Liquids.
Authors: Groh Matthias F. , Mueller Ulrike , Ahmed Ejaz , Rothenberger Alexander , Ruck Michael 
Published: January 2014

AbstractThe preparation of 16 halogenides in the Lewis‐acidic room temperature ionic liquids [bmimm]Cl·xAlCl3 (x: 1.3, 2, 4.8) demonstrates that this resource‐efficient, low‐temperature one‐pot method can successfully replace high‐temperature solid state syntheses.
ChemInform Abstract: Cadmium‐Proline Catalyzed Direct Asymmetric Michael and Aldol Reactions in Water.
Authors: Thingom Bhavna , Moirangthem Soniya D. , Laitonjam Warjeet S. 
Published: January 2014

AbstractCd L‐prolinate appears to be a useful catalyst for Michael addition reactions of unmodified ketones to nitrostyrene as well as aldol reactions of unmodified ketones with aryl aldehydes.
ChemInform Abstract: Strain‐Promoted Retro‐Dieckmann‐Type Condensation on [2.2.2]‐ and [2.2.1]Bicyclic Systems: A Fragmentation Reaction for the Preparation of Functionalized Heterocycles and Carbocycles.
Authors: Moreno‐Clavijo Elena , Moreno‐Vargas Antonio J. , Carmona Ana T. , Robina Inmaculada 
Published: January 2014

AbstractThe ring strain of (7‐hetero)norbornene and (7‐hetero)norbornane systems is exploited in the opening of (7‐hetero)bicyclic skeletons containing a β‐ketosulfone/ester functionality through a retro‐Dieckmann type reaction.
ChemInform Abstract: Mild Allylic Defluorination of 3,3‐Difluorobut‐1‐ene Derivative Activated by a Phenylsulfonyl Group.
Authors: Hong Youn Young , Kim Ju Hee , Choi Su Jeong , Jeong In Howa 
Published: January 2014

AbstractAllylic defluorination is observed when title compounds of type (IV) or (XIV) are reacted with thiolates or alkoxides formed in situ from (V), or with Grignard reagents (VIII) or (XI), or when reacted with t‐butylamine (XI).
ChemInform Abstract: Straightforward and Highly Efficient Synthesis of α‐Acetoxy Ketones Through Gold‐Catalyzed Intermolecular Oxidation of Terminal Alkynes.
Authors: Wu Chao , Liang Zhiwu , Yan Dong , He Weimin , Xiang Jiannan 
Published: January 2014

AbstractA protocol for the direct synthesis of 2‐acyloxyketones is developed using the Au‐catalyzed oxidative addition of carboxylic acids to a variety of terminal alkynes.
ChemInform Abstract: Study of the Kulinkovich Synthesis of 1‐Methylcyclopropanol and Its Conversion into 1‐Methylcyclopropyl 4‐Nitrophenyl Carbonate.
Authors: Wright Stephen W. , Darout Etzer , Stevens Benjamin D. 
Published: January 2014

AbstractA carefully designed process for the scalable synthesis of 1‐methylcyclopropanol (III) is developed as well as the optimized conversion to the mixed carbonate (V).
ChemInform Abstract: A Highly Stereoselective Diels—Alder Cycloaddition of Enones with Chiral Cyclic 2‐Amidodienes Derived from Allenamides.
Authors: Fang Li‐Chao , Hsung Richard P. , Ma Zhi‐Xiong , Presser William R. 
Published: January 2014

AbstractThe Lewis acid promotes highly regioselective and diastereoselective Diels‐Alder reaction giving access to optically enriched [2.2.2]‐bicyclic manifolds.
ChemInform Abstract: Capture of in situ Generated Diazo Compounds or Copper Carbenoids by Triphenylphosphine: Selective Synthesis of trans‐Alkenes and Unsymmetric Azines via Reaction of Aldehydes with Ketone‐Derived N‐Tosylhydrazones.
Authors: Sha Qiang , Ling Yifei , Wang Wenyong , Wei Yunyang 
Published: January 2014

AbstractThe reaction of tosylhydrazones with aldehydes affords unsymmetrical azines (III) and (V).
ChemInform Abstract: Synthesis of Biaryl Imino/Keto Carboxylic Acids via Aryl Amide Directed C—H Activation Reaction.
Authors: Zhang Nana , Yu Qingzhen , Chen Ruixue , Huang Jianhui , Xia Yeqing , Zhao Kang 
Published: January 2014

AbstractA scalable method for the synthesis of the title compounds by utilization of the cheap oxidant tBuOOH is presented.
ChemInform Abstract: Suzuki Cross‐Coupling of Aryl Halides with Phenylboronic Acid Catalyzed by an Amidoxime Fibres‐Nickel(0) Complex.
Authors: Wu Zhi‐Chuan , Lu Ye‐Neng , Ren Yi‐Ming , Chen Zhi‐Ming , Tao Ting‐Xian 
Published: January 2014

AbstractA polymer‐supported Ni(0)‐amidoxime complex exhibits excellent catalytic activity in promoting the Suzuki reaction (15 examples).
ChemInform Abstract: A Synthesis of γ‐Trifluoromethyl α,β‐Unsaturated γ‐Butyrolactones Using CF3SiMe3 as a Trifluoromethylating Agent.
Authors: Masusai Chonticha , Soorukram Darunee , Kuhakarn Chutima , Tuchinda Patoomratana , Pakawatchai Chaveng , Saithong Saowanit , Reutrakul Vichai , Pohmakotr Manat 
Published: January 2014

AbstractA general synthesis of title compounds such as (V) and (VIII) is described.
ChemInform Abstract: Gold(I)‐Catalyzed Enantioselective Bromocyclization Reactions of Allenes.
Authors: Miles Dillon H. , Veguillas Marcos , Toste F. Dean 
Published: January 2014

AbstractN‐Bromolactams are used as tunable electrophiles to achieve the first asymmetric bromofunctionalization of allenes yielding a wide range of pyrrolidines, isoxazolidine (XI), and pyrazolidine (XIII) in high yields and enantioselectivities.
ChemInform Abstract: Boric Acid Promoted Convenient Synthesis of Bis(indolyl)methane in Aqueous Medium.
Authors: Meshram H. M. , Rao Nalajala Nageswara , Thakur Pramod B. , Reddy Bandi Chennakesava , Ramesh P. 
Published: January 2014

AbstractA highly efficient and convenient synthesis of bis(indolyl)methanes (III) (10 examples) via boric acid promoted reaction of indoles with various aromatic and heteroaromatic aldehydes in an environmentally benign medium is developed.
ChemInform Abstract: Expedient Base‐Mediated Desulfitative Dimethylamination, Oxidation, or Etherification of 2‐(Methylsulfanyl)‐3,5‐dihydro‐4H‐imidazol‐4‐one Scaffolds.
Authors: Khan Shahnawaz , Tyagi Vikas , Mahar Rohit , Bajpai Vikas , Kumar Brijesh , Chauhan Prem M. S. 
Published: January 2014

AbstractThe desulfitative dimethylamination of imidazolones (I) is achieved with DMF under optimized microwave conditions.
ChemInform Abstract: Lewis Acid‐Promoted Cascade Reaction of Primary Amine, 2‐Butynedioate, and Propargylic Alcohol: A Convenient Approach to 1,2‐Dihydropyridines and 1H‐Pyrrolo[3,4‐b]pyridine‐5,7(2H,6H)‐diones.
Authors: Yin Guangwei , Zhu Yuanxun , Wang Ningning , Lu Ping , Wang Yanguang 
Published: January 2014

AbstractA new BF3‐mediated cascade reaction yielding the title compounds is presented.
ChemInform Abstract: Synthesis of Phenanthridinones from N‐Methoxybenzamides and Aryltriethoxysilanes Through RhIII‐Catalyzed C—H and N—H Bond Activation.
Authors: Senthilkumar Natarajan , Parthasarathy Kanniyappan , Gandeepan Parthasarathy , Cheng Chien‐Hong 
Published: January 2014

AbstractThe one‐pot synthesis of substituted phenanthridinones involves a rhodium‐catalyzed dual C—H bond activation and annulation reactions.
ChemInform Abstract: Stereoselective Synthesis of Chiral Pyrrolidine Derivatives of (+)‐α‐Pinene Containing a β‐Amino Acid Moiety.
Authors: Vega‐Penaloza Alberto , Sanchez‐Antonio Omar , Escudero‐Casao Margarita , Tasnadi Gabor , Fueloep Ferenc , Juaristi Eusebio 
Published: January 2014

AbstractThe (+)‐α‐pinene derived N‐protected amino acid (I) is used in the synthesis of several constrained pyrrolidine derivatives.
Enantioselective Organocatalytic Oxaziridination of N‐Tosyl Aldimine Catalyzed by Cinchona Alkaloid‐Ester Derivatives
Authors: Jin Ying , Zhang Tianyi , Zhang Wei , Chang Sheng , Feng Bo 
Published: January 2014

ABSTRACTA series of cinchona alkaloid‐ester derivatives was synthesized and applied to catalyze the enantioselective oxaziridination of aryl aldimines with m‐CPBA. The (R,R)‐oxaziridines were obtained in good yields with high enantiomeric excess (ee) values (up to 98%). Chirality 26:150–154, 2014. © 2014 Wiley Periodicals, Inc.
Perspective on CFD studies of coronary artery disease lesions and hemodynamics: A review
Authors: Zhang Jun‐Mei , Zhong Liang , Su Boyang , Wan Min , Yap Jinq Shya , Tham Jasmine P. L. , Chua Leok Poh , Ghista Dhanjoo N. , Tan Ru San 
Published: January 2014

SUMMARYCoronary artery disease (CAD) is the most common cardiovascular disease. Early diagnosis of CAD's physiological significance is of utmost importance for guiding individualized risk‐tailored treatment strategies. In this paper, we first review the state‐of‐the‐art clinical diagnostic indices to quantify the severity of CAD and the associated invasive and noninvasive imaging technologies in order to quantify the anatomical parameters of diameter stenosis, area stenosis, and hemodynamic indices of coronary flow reserve and fractional flow reserve. With the development of computational technologies and CFD methods, tremendous progress has been made in applying image‐based CFD simulation techniques to elucidate the effects of hemodynamics in vascular pathophysiology toward the initialization and progression of CAD. So then, we review the advancements of CFD technologies in patient‐specific modeling, involving the development of geometry reconstruction, boundary conditions, and fluid–structure interaction. Next, we review the applications of CFD to stenotic sites, in order to compute their hemodynamic parameters and study the relationship between the hemodynamic conditions and the clinical indices, to thereby assess the amount of viable myocardium and candidacy for percutaneous coronary intervention. Finally, we review the strengths and limitations of current researches of applying CFD to CAD studies. Copyright © 2014 John Wiley & Sons, Ltd.
Constant hue bands in boundary colors discovered using a new appearance model
Authors: Adams Louis W. , Jennings Carl 
Published: January 2014

AbstractBoundary colors are observed when light from a scene is dispersed by a prism or diffraction grating. We discovered that patterns with repeating black and white stripes can produce repeating bands of boundary colors with two hues. These hues are virtually constant as measured by chromaticity or CIELAB. We found seven cases of this kind using a new appearance model for boundary colors. The model correctly predicts that green and magenta bands recur as stripe widths and dispersion strength vary. The first green/magenta case in the sequence traces out an accurate ellipse in XYZ color space. Green and magenta bands are prominent in supernumerary rainbows and interference rings, and we explain why that might be the case. The explanation is based on an interesting property of the visible spectrum. In addition to the green/magenta cases, the other cases are orange/cyan, yellowish‐green/purple, and yellow/violet. The success of the boundary color appearance model implies that bands are perceived as if the wavelength responses of the cones were essentially independent, which contradicts the actual behavior of cones. © 2014 Wiley Periodicals, Inc. Col Res Appl, 40, 135–146, 2015
Quantum Breathing Mode of Trapped Particles: From Nanoplasmas to Ultracold Gases
Authors: Abraham J. W. , Bonitz M. 
Published: January 2014

AbstractParticles spatially confined in trapping potentials have attracted increasing interest over the recent decade. Of particular importance are systems of charged particles, such as non‐neutral plasmas, nanoplasmas, electrons in metal clusters, electrons in quantum‐confined semiconductor structures (“artificial atoms”), electrons on the surface of liquid helium, ions in traps or highly charged particles (grains) in dusty plasmas. A second example of recent interest are systems with other kinds of pair interactions, including dipole interaction, which is important for excitons in quantum wells or ultracold Fermi and Bose gases in traps and optical lattices.Trapped systems are fundamentally different from macroscopic systems since they are dominated by strong spatial inhomogeneity and finite size effects (the properties depend on the exact particle number). Furthermore, by changing the strength of the confinement potential, the many‐particle state of the system can be externally controlled—from weak coupling (gas‐like) to strong coupling (crystal‐like). While trapped classical particles are meanwhile well understood and accessible to first‐principle computer simulations, their quantum counterparts still pose big challenges, both for experiment and theory. Therefore, collective properties that can be easily measured or computed and allow to diagnose the many‐particle state of the system are of prime importance. It has been found that the quantum breathing mode (monopole oscillation) is one of the most important such properties. In recent years a number of theoretical studies has demonstrated that the quantum breathing mode is ideally suited to measure the coupling strength (the degree of nonideality) of a trapped system, its kinetic and interaction energy and other key observables. This give rise to a novel kind of “spectroscopy” of trapped systems.In this review these developments are summarized. The quantum breathing mode is studied for trapped fermions and bosons with Coulomb and dipole interaction, respectively. A systematic description of collective oscillations and especially the breathing mode is provided. Making use of time‐dependent perturbation theory, it is shown how the corresponding breathing frequencies are connected to the properties of the initial equilibrium system. This gives rise to the application of the quantum mechanical sum rules. It is demonstrated how an improved version of the conventional sum rule formulas is suitable for an accurate description of the breathing mode in small systems. Finally, the dependence of the breathing mode on the particle number N is analyzed and the limit of large N is studied for one‐dimensional and two‐dimensional systems. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)