bluuebunny/crossref_metadata_2025 huggingface dataset:
The v1, v2, 2v3, v2 + v3 band systems and the overtone region of HCNO above 4000 cm−1: A Network of Resonance Systems
Authors: Albert Sieghard , Winnewisser Manfred , Winnewisser Brenda P.
Published: July 2012

The v2, 2v3, v1, v2 + v3, 3v3, 2v2, v1 + v3, v2, + 2v3, v1 + v2 and 2v2 + v3 band systems of HCNO could be identified between 1800 and 5800 cm−1. In addition, new transitions in the v5, v4 and v3 band systems could be assigned. The determination of spectroscopic power series coefficients shows that every assigned vibrational level is perturbed. Most of the interactions are part of resonance systems which are embedded in a grand network of interacting states. This network can be built up on the basis of the resonance systems 00010/00002, 00100/00004 and 01000/00015. In this paper the 01010/01002/00201/00113/[00025] and the 01110/01102/00301/00213/[01014]/[00125] resonance systems are presented. Vibrational quantum numbers in brackets indicate that the vibrational term value of the vibrational state is only estimated. The 10003/10011/00205 and 10005/01201 resonance systems, which do not fit into this network, are also discussed. The effect of excitation of the stretching modes v1, v2 and v3 on the v5 manifold and the quasilinear parameter y0 are examined.
Size dependence of structural and dynamic properties of CdS‐nanoparticles
Authors: Rockenberger Jörg , Tröger Larc , Kornowski Andreas , Voßmeyer Tobias , Eychmüller Alexander , Feldhaus Josef , Weller Horst
Published: July 2012

Temperature‐dependent EXAFS (Extended X‐ray Absorption Fine Structure) measurements between 5 and 290 K show that structural and dynamic properties of CdS nanoparticles with 13‐120 Å diameter depend on their particle size and the way of surface stabilization. The mean Cd‐S distance of thiolcapped CdS nanoparticles (13‐40 Å) increases with decreasing particle size with respect to CdS bulk. In contrast, mean interatomic distances in polyphosphate‐stabilized particles (30‐120 Å) are slightly contracted. This demonstrates that the covalently bound thiol ligands induce the nanocluster lattice expansion. From the temperature dependence of the mean‐square relative displacement (MSRD), a slight stiffening of the Cd‐S bond can be observed with decreasing particle size. The static part of the MSRD, reflecting static disorder of the Cd‐S bond, exhibits a maximum at cluster sizes of about 30 Å. For particles larger than 30 Å diameter, the increase of the static disorder follows the change of the surface to volume ratio. This ratio also determines the size dependence of the asymmetry of the interatomic Cd‐S pair potential. Furthermore, in CdS bulk and CdS nanoparticles with the thermodynamically favored wurtzite structure this asymmetry is significantly enlarged in comparison to nanoparticles with zincblende structure.
Investigations of the emission properties of single CdS‐nanocrystallites
Authors: Tittel Jakob , Göhde Wolfgang , Koberling Felix , Mews Alf , Kornowski Andreas , Weller Horst , Eychmüller Alexander , Basché Thomas
Published: July 2012

Semiconductor nanocrystallites (NCs) with a radius in the range of the bulk excition radius exhibit a strong quantum size effect. We investigated CdS‐NCs, that were spin coated on a glass cover slip, with a low temperature confocal microscope, At low coverage we could image the fluorescence light from single NCs. The typical emission spectra of single NCs show four peaks. Besides the main peak related to near bandgap recombination, up to two Lo‐phonon satellites and one blue shifted peak were observed. It could be shown that the absorption can be polarization dependent. From the images as well as from the intensity autocorrelation function it could be concluded that the fluorescence emission of single NCs is interrupted by dark periods. In addition, spectral shifts in the dispersed fluorescence emission could be observed.
Synthesis and characterization of catalysts based on ligand‐stabilized clusters incorporated in mesoporous oxides
Authors: Junges U. , Schüth F. , Schmid G. , Uchida Y. , Schlögl R.
Published: July 2012

MCM 41 was loaded with ligand‐stabilized palladium clusters in the size range of 3‐4 nm via different pathways. A mixture of seven‐ and eight‐shell clusters (Pd7/8(phen)) was directly introduced into the mesoporous structure during the synthesis of MCM 41 as well by incipient wetness impregnation. The Samples were characterized by X‐ray diffraction, N2‐sorption, DTA and TEM. The clusters show different thermal stability depending on the synthesis pathway used. In situ incorporation leads to a decomposition of the Pd clusters after calcination at 873 K. However, the clusters that were introduced by incipient wetness impregnation are thermally stable up to 513 K in air. As a first catalytic test the oxidation of CO with synthetic air was used. Compared to catalysts prepared by conventional methods with appropriate palladium salts, the impregnated samples show high activity in the CO oxidation.
Synthesis and characterization of PbS quantum dots embedded in the polyaniline film
Authors: Gaponik N. P. , Sviridov D. V.
Published: July 2012

The Polyaniline films loaded with quantum‐confined PbS particles were prepared by the incorporation of Pb2+ ions into the polyaniline matrix during electropolymerization followed by their conversion into sulphide form. The Rutherford backscattering measurements indicate that the precipitation of PbS nanophase occurs mainly near the outer face of the film. The shape of the photocurrent spectrum of Q‐PbS‐doped polyaniline film was shown to be dependent on the regime of electropolymerization of the polyaniline host. The anodic polarization produces the blue shift of the excitonic maximum in the photocurrent spectrum that can be attributed to the positive charging of Q‐PbS particles embedded in the polyaniline matrix.
Raman spectroscopy on CdZnSe/ZnSe quantum wires
Authors: Lermann G. , Bischof T. , Schreder B. , Materny A. , Kiefer W. , Kümmell T. , Bacher G. , Forchel A. , Landwehr G.
Published: July 2012

CdZnSe/ZnSe quantum wires with lateral widths down to 20 nm were produced by means of electron beam lithography and wet chemical etching. In order to study the wire width dependence of the vibronic properties, micro resonance Raman spectroscopy has been performed. By this method Raman spectra could be obtained as a function of the wire width. The Raman spectra taken from the Cd0.1Zn0.9Se wires showed only one peak in the wavenumber region of the ZnSe LO phonon. Due to the small Cd content the ZnSe LO phonon of the barrier layer and the ZnSe‐like LO phonon of the Cd0.1Zn0.9Se layer are not separated from each other. Nevertheless, a wire width dependence of the LO phonon wavenumber position is observed. This behavior is due to strain relaxation in the biaxially strained Cd0.1Zn0.9Se layer.
Mesoporous inorganic monoliths from lyotropic liquid crystalline polymer templates
Authors: Weißenberger Markus C. , Göltner Christine G. , Antonietti Markus
Published: July 2012

Lyotropic phases of amphiphilic block copolymers and water are used as templates for the synthesis of monolithic mesoporous silica objects. These monoliths show a large specific surface area, high porosity, and a narrow pore size distribution. The template can be removed from the monolithic material by solvent extraction. The polymerization of an organic monomer is conducted in the bicontinuous pore system of the silica monolith. Removal of the inorganic matter affords a nanostructured organic polymer, such proving both bicontinuity as well as complete accessibility of the pore system. It is suggested that bicontinuous monolith materials with pore sizes in the nanometer range are useful media for studying the effects of confinement on matter.
Formation of ceramic oxide nanoparticles in low pressure flames: Experiment and computersimulation
Authors: Lindackers D. , Roth P.
Published: July 2012

Low pressure premixed H2/O2/Ar flames were stabilised on a flat, water‐cooled sintered bronze plate at pressures 27.5 mbar ≤ p ≤ 30 mbar and doped with small amounts (100‐400 ppm) of Al(CH3)3 or SiH4 acting as Al‐ and Si‐precursors, respectively. In the combustion process, the condensable oxidation products Al2O3 and SiO2 were formed and undergo phase transition by homogeneous nucleation. Coagulation of nuclei and particles driven by Brownian motion contribute to the further evolution of the particle size distribution. Samples of the combustion aerosol were extracted at different heights from the flame by a molecular beam sampling device and were in situ analysed due to particle mass and chemical species composition. Charged particles of both polarities were found at flame co‐ordinate × ≥ 20 mm. In the case of SiO2 particles, their mean diameter was 4.2 nm ≤ dp ≤ 7.6 nm. Al2O3 particles were determined to be in the size range 3.8 nm ≤ dp ≤ 4.7 nm. Due to the rapid precursor conversion and the strong particle formation rate, gaseous intermediates of the oxidation products were not found in the flame. In the Al(CH3)3 doped flame, the formation of the reaction by‐product CO2 was monitored. The experimental results on SiO2 particle formation were verified by a theoretical model. It includes the oxidation of H2 and SiH4 in burner stabilised flames, the homogeneous nucleation of SiO2‐vapour, Brownian coagulation, and particle charging by ion diffusion. Good agreement in particle size and size distribution between the experimental results and the computer simulations was obtained.
Growth kinetics of nanocrystalline CuTi by means of time‐resolved SAXS
Authors: Wagner J. , Janßen S. , Hirscher M. , Boesecke P. , Hempelmann R.
Published: July 2012

Nanocrystalline Cu0.50Ti0.50 was prepared by controlled recrystallisation of amorphous CuTi. Since the crystalline particles have a density slightly higher than the amorphous matrix, a difference in electron density and, as consequence, in scattering length density results.

This enabled us to study the crystallisation process of metallic glasses by means of small angle X‐ray scattering (SAXS) in real‐time, using the high intensities available at the synchrotron radiation source ESRF.
Preparation of nanocrystalline Ag‐ME (ME = Co, Fe and Ni) materials by gas flow condensation technique
Authors: Dimesso L. , Humm S. , Fuess H. , Hahn H.
Published: July 2012

Heterogeneous Ag‐ME (ME = Fe, Co, Ni) nanostructured alloys have been prepared by a new process utilizing co‐evaporation of the metals in a continuous gas flow. Inert gas, at different final pressures, has been injected into a ultra‐high vacuum chamber through a nozzle in order to establish a convectional flow that carried nano‐crystallites of the ME over an evaporation source of Ag, so that part of the atoms of silver condensed at the surface of the ME crystallites as thin coating. The average grain size of the Ag‐ME powders, determined both by X‐ray diffraction and surface area analysis, increased with the He pressure (pHe). Electrical measurements revealed a decrease of the resistivity of the compacted Ag‐ME samples in a magnetic field; values of the giant magnetoresistance effect as large as 26% (ME = Co, pHe = 100 Pa), 8% (ME = Fe, pHe = 1000 Pa) and 7% (ME = Ni, pHe = 800 Pa) have been observed, at room temperature and a magnetic field H = 1.5 T.
Electronic spectroscopy of aromatic molecules in jet‐cooled hydrogen bonded clusters ‐ structure and fluxionality
Authors: Kleinermanns K. , Gerhards M. , Schmitt M.
Published: July 2012

Spectroscopical and theoretical investigations of various aspects of molecular solvation by hydrogen bonding are presented. The focus is on clusters of phenol with water to study the hydrogen bond in water networks and the solvent interaction with the phenol OH group and the aromatic ring. The phenol dimer and trimer are considered to elucidate the effect of electronic excitation in different cluster moieties. Excited state proton transfer reactions are discussed using clusters of phenol with ammonia as an example.
A semiempirical study of the fluorescence properties of large charge transfer compounds: N,N‐dimethylanilino‐bis‐pyrazolopyridine
Authors: Parusel Andreas B. J. , Schamschule Rudolf , Köhler Gottfried , Parusel Andreas B. J.
Published: July 2012

4‐(4′‐N,N‐dimethylaminophenyl)‐3,5‐dimethyl‐1,7‐diphenyl‐bis‐pyrazolo‐[3,4‐b;4′,3′e]‐pyridine (DMA‐DMPP), was recently synthesized as an example of a bulky electron donor‐acceptor compound and was examined by spectroscopic methods. The molecule consists of several subunits of different redox properties and the observed behavior was thus interpreted by an intramolecular charge transfer model. This hypothesis is validated by semiempirical excited state calculations. They are focused on the coupling of intramolecular charge transfer to various relaxation modes, e.g. rotation about single bonds leading to decoupling π systems. Rotation about the single bond connecting the dimethylanilino and heteroaromatic subunit results as the most important relaxation coordinate. The two moieties non orthogonal in the ground state become perpendicularly oriented in the optimum excited state. In this conformation the dipole moment also becomes maximal. These results agree satisfactorily with the observation of a marked red shift of its fluorescence in polar solvents and dual fluorescence found in polar, protic environment.
In situ UV‐Vis spectroelectrochemical evidence of an EC mechanism in the electrooxidation of N‐Methylaniline
Authors: Malinauskas Albertas , Holze Rudolf
Published: July 2012

The anodic oxidation of N‐methylaniline (NMA) on optically transparent electrodes was studied with in situ UV‐Vis spectroscopy. An absorbance band at Δmax=443 nm was ascribed to the formation of an intermediate species formed during electrolysis. The intermediate was found to react with solution NMA, forming a soluble polymer, which shows an absorbance band at Δmax=750 nm. Thus, an EC mechanism of NMA electrooxidation was confirmed. It was concluded, that the presence of an alkyl chain at the aniline nitrogen stabilizes the intermediate and enables its detection by simple spectroelectrochemical technique on a minute time scale. Anodic oxidation of NMA on ITO electrode, covered with a thin layer of polyaniline, was found to proceed faster than on a bare electrode. A copolymerisation of NMA and aniline was showed to proceed.
Modeling of nickel surface state in electrocatalytic hypophosphite oxidation according to on‐line electrochemical mass spectrometry studies
Authors: Jusys Zenonas , Vaškelis Algirdas
Published: July 2012

Computer simulation of possible distributions of Had and Dad atoms developed on nickel surface as a result of partial reactions of anodic hypophosphite oxidation and cathodic proton (deuteron) discharge from water respectively was used for modeling of the catalyst surface state according to on‐line electrochemical mass spectrometry data. The simpliest lattice‐gas model gives a probable qualitative description of the catalyst surface state and allows the genesis of electrocatalytic properties of nickel with the electrode potential to be followed. Location of anodic and cathodic half‐reactions at special types of sites was evidenced, leading to formation of non‐equilibrium H2, HD and D2 mixtures with the lower HD content than that predicted theoretically.
Validation of the frequency shift of thickness‐shear‐mode resonators in liquids ‐ determination of the activation energy of viscosity
Authors: Bund A. , Schwitzgebel G.
Published: July 2012

The frequency shift of thickness‐shear‐mode resonators (f0 = 10 MHz) in liquids was described as combined effects of rigid mass loading and viscous damping. The thus obtained relationship was used to determine the activation energy of viscosity by impedance measurements on TSM devices in liquids at temperatures between 20 and 45°C. Good agreement with literature data for water, methanol, ethanol, 1‐propanol, and 1‐butanol was achieved.
Multiscale Simulation of the Fluidized Bed Granulation Process
Authors: Dosta M. , Antonyuk S. , Heinrich S.
Published: July 2012

A novel multiscale modeling approach was developed, implemented as basis of a simulation environment and applied to the fluidized bed spray granulation process. The high detailing level of the simulation is based on the process description on different time and length scales which are coupled by interscale communication laws. This allows considering a higher amount of process parameters, compared to the semi‐empirical models which are typically used. The developed concept represents the production plant as flow sheet, with its further dynamic simulation on the macroscale. The influence of parameters such as viscosity of the sprayed suspension, nozzle positions, and temperature of the fluidization air on the whole process can be considered on the microscale.
Soft X‐ray Imaging and Spectromicroscopy: New Insights in Chemical State and Morphology of the Key Components in Operating Fuel‐Cells
Authors: Bozzini Benedetto , Abyaneh Majid Kazemian , Amati Matteo , Gianoncelli Alessandra , Gregoratti Luca , Kaulich Burkhard , Kiskinova Maya
Published: July 2012

Fuel cells are one of the most appealing environmentally friendly devices for the effective conversion of chemical energy into electricity and heat, but still there are key barriers to their broad commercialization. In addition to efficiency, a major challenge of fuel‐cell technology is the durability of the key components (interconnects, electrodes, and electrolytes) that can be subject to corrosion or undesired morphology and chemical changes occurring under operating conditions. The complementary capabilities of synchrotron‐based soft X‐ray microscopes in terms of imaging, spectroscopy, spatial and time resolution, and variable probing depths are opening unique opportunities to shed light on the multiple processes occurring in these complex systems at microscopic length scales. This type of information is prerequisite for understanding and controlling the performance and durability of such devices. This paper reviews the most recent efforts in the implementation of these methods for exploring the evolving structure and chemical composition of some key fuel cell components. Recent achievements are illustrated by selected results obtained with simplified versions of proton‐exchange fuel‐cells (PEFC) and solid‐oxide fuel‐cells (SOFC), which allow in situ monitoring of the redox reactions resulting in: 1) undesired deposits at interconnects and electrodes (PEFC); 2) material interactions at the electrode–electrolyte interface (PEFC); 3) release of corrosion products to the electrolyte phase (PEFC, and 4) mass‐transport processes and structural changes occurring at the high operation temperatures of SOFC and promoted by the polarization.
ChemInform Abstract: Interaction of Vanadium with Iron and Antimony at 870 and 1070 K.
Authors: Romaka Vitaliy V. , Romaka Lyubov , Stadnyk Yuriy , Gvozdetskii Volodymyr , Gladyshevskii Roman , Skryabina Nathaliya , Melnychenko Nathaliya , Hlukhyy Viktor , Faessler Thomas
Published: July 2012

The isothermal sections of the V—Fe—Sb ternary system at 870 and 1070 K are constructed.
ChemInform Abstract: Electrochemical Behavior of α1/α2‐ [Fe(H2O)P2W17O61]7‐ Isomers in Solution: Experimental and DFT Studies.
Authors: Vila Neus , Aparicio Pablo A. , Secheresse Francis , Poblet Josep M. , Lopez Xavier , Mbomekalle Israel M.
Published: July 2012

The influence of protonation on the redox behavior of the two title isomers is characterized by cyclic voltammetry in aqueous media at pH values from 0.5 up to 8.0 and by DFT calculations.
ChemInform Abstract: Oxidation State of Uranium in A6Cu12U2S15 (A: K, Rb, Cs) Compounds.
Authors: Kanatzidis Mercouri G. , et al. et al.
Published: July 2012

Black single crystals of the title compounds are synthesized from mixtures of U, Cu, and S using Rb2S3 or M2S (M: K, Cs) as reactive flux (793—823 K, 7—8 d, 40 and 70 wt.% yield for the Rb and K compound, respectively).
ChemInform Abstract: Synthesis of Molecular Dodecanuclear Carbon‐Centered Rhenium Cluster Re12CS17 and Its Conducting Properties.
Authors: Fedorov Vladimir Efimovich , Gabuda Svyatoslav Petrovich , Kozlova Sevtlana Gennad'evna , Gayfulin Yakov Maksumovich , Mironov Yuri Vladimirovich , Rizhikov Yakov Raisovich , Uvarov Nikolay Favstovich
Published: July 2012

Yields of compounds (II) and the anhydrous compound (III) are given in gram.
ChemInform Abstract: Crystal Structure of YbCu6In6 and Mixed Valence Behavior of Yb in YbCu6‐xIn6+x (x = 0, 1, and 2) Solid Solution.
Authors: Subbarao Udumula , Peter Sebastian C.
Published: July 2012

High quality single crystals of YbCu6In6 are prepared from the elements using excess In as a flux (alumina crucible, 1000 °C for 10 h, 850 °C for 96 h).
ChemInform Abstract: Iron(II)‐Catalyzed Enantioselective meso‐Epoxide‐Opening with Anilines.
Authors: Plancq Baptiste , Ollevier Thierry
Published: July 2012

A highly enantioselective method for the catalytic opening of aromatic meso‐epoxides (I) and (IV) with aniline derivatives (II) is developed.
ChemInform Abstract: InBr3‐ and AgOTf‐Catalyzed Beckmann Rearrangement of (E)‐Benzoheterocyclic Oximes.
Authors: Tandon Vishnu K. , Awasthi Anoop K. , Maurya Hardesh K. , Mishra Pushyamitra
Published: July 2012

Beckmann rearrangement of oximes (I) and (III) using a catalyst formed from InBr3 and AgO‐Tf provides access towards the potentially bioactive rearranged products (II) and (IV), exclusively.
ChemInform Abstract: 8‐Bromocaffeine (8‐BC): A New Versatile Reagent for Conversion of Aldoximes into Nitriles.
Authors: Rad Mohammad Navid Soltani , Behrouz Somayeh , Nekoei Abdo‐Reza
Published: July 2012

Microwave chemistry allows a rapid conversion of a broad spectrum of aldoximes including aliphatic, aromatic and heterocyclic systems.
ChemInform Abstract: Ester as a Blocking Group for Palladium‐Catalyzed Direct Forced Arylation at the Unfavorable Site of Heteroaromatics: Simple Access to the Less Accessible Regioisomers.
Authors: Chen Lu , Bruneau Christian , Dixneuf Pierre H. , Doucet Henri
Published: July 2012

Optimal reaction conditions are found for the palladium‐catalyzed direct arylation of substituted thiophenes (I), furan (VI), pyrroles (VIII), and pyrazole (X).
ChemInform Abstract: Carboxylation of Terminal Alkynes with Carbon Dioxide Catalyzed by Poly(N‐heterocylic carbene)‐Supported Silver Nanoparticles.
Authors: Yu Dingyi , Tan Mei Xuan , Zhang Yugen
Published: July 2012

The catalyst can be easily recycled and used in at least five runs with only a slight loss in activity.
ChemInform Abstract: TMSCl as a Rate‐Accelerating Additive in Acylations of Amines with 5‐(α‐Amino‐α′‐hydroxy)methylene Meldrum Acids.
Authors: Janikowska Karolina , Makowiec Slawomir
Published: July 2012

A wide range of nonsymmetrical malononic acid diamides, esters, and thioesters of malonamic acid is prepared.
ChemInform Abstract: Modified Shapiro Reactions with Bismesitylmagnesium as an Efficient Base Reagent.
Authors: Kerr William J. , Morrison Angus J. , Pazicky Mrek , Weber Tina
Published: July 2012

Compared to the common lithium systems, the magnesium base requires only a slight excess (1‐2 equiv.) of the Weinreb reagent to produce functionalized styrenes.
ChemInform Abstract: Aqueous Ring‐Opening of N‐Tosylaziridine with Aniline Derivatives.
Authors: Zhu Mengping , Moasser Bahram
Published: July 2012

Substrate (I) is insoluble in water at room temperature, but becomes more soluble at higher temperature.
ChemInform Abstract: Synthesis of Polyfunctionalized Acrylates via One‐Pot Reactions of Arylamines, Methyl Propiolate, Aromatic Aldehydes, and Active Methylene Compounds.
Authors: Sun Yan , Sun Jing , Yan Chao‐Guo
Published: July 2012

The four‐component reaction is successfully extended to pivaloylacetonitriles, 1,3‐cyclopentadienone, and 4‐hydroxycoumarin as active methylene compounds.
ChemInform Abstract: Eco‐Friendly Synthesis of α‐Aminonitriles from Ketones in PEG‐400 Medium Using Potassium Hexacyanoferrate(II) as Cyanide Source.
Authors: Hu Xiaochun , Ma Yuanhong , Li Zheng
Published: July 2012

Benzoyl cyanide, generated in a prestep from K4[Fe(CN)6] and benzoyl chloride, is demonstrated to be an efficient reagent for the synthesis of the target compounds.
ChemInform Abstract: Green Approach for Knoevenagel Condensation of Aromatic Aldehydes with Active Methylene Group.
Authors: Deshmukh M. B. , Patil Suresh S. , Jadhav S. D. , Pawar P. B.
Published: July 2012

Knoevenagel condensation of aldehydes with malononitrile proceeds smoothly in lemon juice as solvent and catalyst.
ChemInform Abstract: Palladium‐Catalyzed C—H Alkenylation of Arenes Using Thioethers as Directing Groups.
Authors: Yu Ming , Xie Yongju , Xie Chunsong , Zhang Yuhong
Published: July 2012

Benzylic thioethers are effective as directing group for the incorporation of various acrylates to arenes.
ChemInform Abstract: Highly Regioselective Synthesis of 1,3‐Diiodonaphthalene Derivatives via a Sequential Cascade Iodocyclization.
Authors: Wang Li‐Jing , Zhu Hai‐Tao , Lu Lei , Yang Fang , Liu Xue‐Yuan , Liang Yong‐Min
Published: July 2012

The use of 2.5 equiv.
ChemInform Abstract: Lewis Acid Catalyzed, Copper(II)‐Mediated Synthesis of Heteroaryl Thioethers under Base‐Free Conditions.
Authors: Dai Chao , Xu Zhaoqing , Huang Fei , Yu Zhengkun , Gao Yan‐Feng
Published: July 2012

Heterocycles bearing medicinally important sulfur motifs are readily available with thiols or DMSO as the sulfurizing agents.
ChemInform Abstract: Environmentally Friendly Tetrahydrofuranylation of Alcohols Using NaHSO4—SiO2 under Solvent‐Free Conditions.
Authors: Kinfe Henok H. , Terblanche Sullivan , Tshivhase Konanani D. , Ravhura Livhuwani
Published: July 2012

Advantages of the title procedure are low cist, low catalyst loading, compatibility of the catalyst with a wide‐range of acid‐sensitive groups, short reaction times and the absence of organic solvents.
ChemInform Abstract: DBU‐Catalyzed Tandem Additions of Electron‐Deficient 1,3‐Conjugated Enynes with 2‐Aminomalonates: A Facile Access to Highly Substituted 2‐Pyrrolines.
Authors: Yu Xiuzhao , Zhou Guanghua , Zhang Junliang
Published: July 2012

Boc‐ and Cbz‐protected amines can also be used as starting material.
ChemInform Abstract: Catalytic Enantioselective Synthesis of β‐Trifluoromethyl Pyrrolines.
Authors: Kawai Hiroyuki , Kitayama Takashi , Tokunaga Etsuko , Matsumoto Takashi , Sato Hiroyasu , Shiro Motoo , Shibata Norio
Published: July 2012

The first enantioselective synthesis of title compounds (III) and (V) is achieved via conjugate addition of nitromethane (II) to β‐trifluoromethylated enones (I) and (IV), resp., catalyzed by a bifunctional cinchona alkaloid—thiourea derivative, followed by a nitro reduction—cyclization—dehydration sequence in a one‐pot procedure.
ChemInform Abstract: SmI2‐Mediated Coupling of Nitrones and tert‐Butanesulfinyl Imines with Allenoates: Synthesis of β‐Methylenyl‐γ‐lactams and Tetramic Acids.
Authors: Xu Chu‐Pei , Huang Pei‐Qiang , Py Sandrine
Published: July 2012

The reaction of various nitrones with allenoates proceeds with formation of β‐methylenyl‐γ‐amino esters, which can be further transformed to γ‐lactams of type (IV) as substructures of natural products.
ChemInform Abstract: A Fluorene‐Modified Porphyrin for Efficient Dye‐Sensitized Solar Cells.
Authors: Wu Cheng Hua , Pan Tsung‐Yu , Hong Shang‐Hao , Wang Chin‐Li , Kuo Hshin‐Hui , Chu Yang‐Yun , Diau Eric Wei‐Guang , Lin Ching‐Yao
Published: July 2012

Porphyrins bearing a polyaromatic or a heterocyclic group are prepared to study their fundamental and photovoltaic properties.
ChemInform Abstract: Design and Synthesis of Orally Available MEK Inhibitors with Potent in vivo Antitumor Efficacy.
Authors: Adams Mark E. , et al. et al.
Published: July 2012

Two novel series of dihydroindolone [cf.
ChemInform Abstract: Silver‐Promoted Friedel—Crafts Reaction: Concise Total Synthesis of (‐)‐Ardeemin, (‐)‐Acetylardeemin and (‐)‐Formylardeemin.
Authors: Wang Y. , Kong C. , Du Y. , Song H. , Zhang D. , Qin Y.
Published: July 2012

Direct alkylation of bromopyrroloindoline (I) with prenyl tributylstannane gives derivative (III) as key intermediate in the total synthesis of multidrug resistant inhibitor (‐)‐formylardeemin (IV).
ChemInform Abstract: Design and Synthesis of 4‐Alkynyl Pyrazoles as Inhibitors of PDE4: A Practical Access via Pd/C—Cu Catalysis.
Authors: Gorja Dhilli Rao , Kumar K. Shiva , Kandale Ajit , Meda Chandana Lakshmi T. , Parsa Kishore V. L. , Mukkanti K. , Pal Manojit
Published: July 2012

A facile Pd—C/CuI/PPh3 mediated C—C bond forming reaction between pyrazole iodide and several terminal alkynes leads to title compounds (III).
ChemInform Abstract: Benzylic Arylation of 2‐Methyl‐5‐membered Heterocycles Using TMP‐Bases.
Authors: Duez Stephanie , Steib Andreas K. , Knochel Paul
Published: July 2012

A new effective method for direct benzylic arylation of various heterocyclic compounds with aromatic and heteroaromatic bromides is developed.
ChemInform Abstract: Asymmetric Michael Addition of Substituted Rhodanines to α,β‐Unsaturated Ketones Catalyzed by Bulky Primary Amines.
Authors: Yu Feng , Hu Haoxiang , Gu Xiaodong , Ye Jinxing
Published: July 2012

Steric hindrance in the chiral diamine catalysts is crucial.
ChemInform Abstract: 1,3‐Di‐n‐butylimidazolium Tribromide‐Mediated Chemoselective Oxidative Cyclization of Benzothiazoyl Carbaimides: A Novel Approach Toward the Synthesis of N‐Bis‐benzothiazole Derivatives.
Authors: Kumbhare Ravindra M. , Dadmal Tulshiram , Kosurkar Umesh , Kumar K. Vijay
Published: July 2012

Benzothiazolyl carbaimides (III) and (VI) are obtained from aminobenzothiazoles (I) and (V) and isothiocyanates (II) by a novel method using DMAP as a catalyst.
ChemInform Abstract: Facile One‐Pot Three‐Component Reaction to Synthesize Trifluoromethylated Cyclopenta[b]pyran Derivatives and Their Further Transformation.
Authors: Liu Jianning , Li Jia , Zhang Li , Song Liping , Zhang Min , Cao Weiguo , Zhu Shizheng , Deng Hongmei , Shao Min
Published: July 2012

The method offers a convenient and exclusive access to the anellated pyran structures (IV).
ChemInform Abstract: A Single Step Approach to Piperidines via Ni‐Catalyzed β‐Carbon Elimination.
Authors: Kumar Puneet , Louie Janis
Published: July 2012

The [4 + 2]‐cycloaddition of N‐Boc azetidinone and alkynes afford 3‐piperidinones in high yields where a variety of internal alkynes is applied tolerating aliphatic, aromatic, trimethylsilyl and tributylstannyl groups.
ChemInform Abstract: Diastereoselective Synthesis of Tetrahydroquinolines via a Palladium‐Catalyzed Heck—Suzuki Cascade Reaction.
Authors: Wilson Jonathan E.
Published: July 2012

Bromoaniline substrates of type (I) and (IV) undergo Pd‐catalyzed Heck reaction followed by Suzuki coupling to provide trans‐tetrahydroquinoline scaffolds bearing a tertiary and a quaternary stereocenter with complete diastereoselectivity.
ChemInform Abstract: Synthesis of Benzoindoloquinolizines via a Cu(I)‐Mediated C—N Bond Formation.
Authors: Worayuthakarn Rattana , Nealmongkol Prattya , Ruchirawat Somsak , Thasana Nopporn
Published: July 2012

The reaction of the trans‐compound (IVe) to the compound (Ve) gives a lower yield.
ChemInform Abstract: Enviro‐Economic, Ultrasound‐Assisted One‐Pot, Three‐Component Synthesis of Pyrido[2,3‐d]pyrimidines in Aqueous Medium.
Authors: Hussein Essam M.
Published: July 2012

Three‐component reaction of aminouracils (I) with aromatic aldehydes (II) and malonic acid derivatives (III) proceeds smoothly in water using tetrabutylammonium bromide as phase transfer catalyst under sonication.
ChemInform Abstract: Synthesis of Acyltrifluoroborates.
Authors: Dumas Aaron M. , Bode Jeffrey W.
Published: July 2012

Benzotriazole‐derived N,O‐acetals are converted to acyltrifluoroborates after trapping with B(OMe)3.
ChemInform Abstract: Direct Synthesis of B‐Allyl and B‐Allenyldiisopinocampheylborane Reagents Using Allyl or Propargyl Halides and Indium Metal under Barbier‐Type Conditions.
Authors: Hirayama Lacie C. , Haddad Terra D. , Oliver Allen G. , Singaram Bakthan
Published: July 2012

The intermediate borane reagents react with carbonyl compounds to afford homoallylic and homopropargylic alcohols with low to excellent enantioselectivity.
ChemInform Abstract: Copper(II)‐Catalyzed Silyl Conjugate Addition to α,β‐Unsaturated Conjugated Compounds: Broensted Base‐Assisted Activation of Si—B Bond in Water.
Authors: Calderone Joseph A. , Santos Webster L.
Published: July 2012

The reaction is applied to a variety of α,β‐unsaturated carbonyl compounds like esters, aldehydes or linear and cyclic ketones.
ChemInform Abstract: Synthesis of 1‐Amino‐2‐vinylcyclopropane‐1‐phosphinates. Conversion of a Phosphonate to Phosphinates.
Authors: Pyun Hyung‐Jung , Clarke Michael O. , Cho Aesop , Casarez Anthony , Ji Mingzhe , Fardis Maria , Pastor Richard , Sheng X. Christopher , Kim Choung U.
Published: July 2012

The conversions proceed via mono ester (II) by either nucleophilic or electrophilic alkylation to produce a broad spectrum of amino acid biosteres.
ChemInform Abstract: Synthesis of Novel Benzosuberone Derivatives Using Organophosphorus Reagents and Their Antitumor Activities.
Authors: Boulos Leila S. , Abdel‐Malek Hoda A. , El‐Sayed Naglaa F.
Published: July 2012

Compounds (IV) and (VI) possess promising inhibiting activity in cell proliferation of MCF 7 and HEPG2 cells.
ChemInform Abstract: Copper‐Catalyzed Aerobic Oxidative Trifluoromethylation of H‐Phosphonates Using Trimethyl(trifluoromethyl)silane.
Authors: Chu Lingling , Qing Feng‐Ling
Published: July 2012

The method seems to be generally efficient for the formation of biologically important components bearing a ‐CF3 function.
ChemInform Abstract: Thioester‐isocyanides: Versatile Reagents for the Synthesis of Cycle—Tail Peptides.
Authors: Rotstein Benjamin H. , Winternheimer David J. , Yin Lois M. , Deber Charles M. , Yudin Andrei K.
Published: July 2012

The preparation of a novel class of thioester isocyanides (II) and their utility in the synthesis of peptide macrocycles, e.g. (V), is reported.
ChemInform Abstract: N‐Amination of Amino Acids and Its Derivatives Using N‐Boc‐O‐Tosyl Hydroxylamine as an Efficient NH‐Boc Transfer Reagent: Electrophilic Amination.
Authors: Baburaj Thankappan , Thambidurai Sivalingam
Published: July 2012

Amino acids, esters, and alcohols react with agent (II) to produce Boc‐protected hydrazino derivatives in good yields.
ChemInform Abstract: A Novel Sugar‐Based Intramolecular Ugi 3CC for the N‐Alkyl‐3‐oxo‐4‐aryl‐octahydrofuro[2,3‐f][1,4]oxazepine‐5‐carboxamides.
Authors: Reddy B. V. Subba , Majumder Nilanjan , Rao T. Prabhakar , Sridhar B.
Published: July 2012

For the first time, a bifunctional carbohydrate‐derived aldehyde/acid is employed for the reaction with amines and isocyanides to provide a novel class of derivatives (IV), suitable for library synthesis.
ChemInform Abstract: A Concise Synthesis of a Highly Strained Cyclobutane in Solanoeclepin A by Radical Cyclization.
Authors: Komada Takema , Adachi Masaatsu , Nishikawa Toshio
Published: July 2012

The key step is a samarium‐mediated 4‐exo‐trig radical cyclization to give the cyclobutanone (VIII) which possesses the highly strained tricyclodecane skeleton found in the title compound.
ChemInform Abstract: Chemical Methods for Degradation of Target Oligosaccharides Using Designed Light‐Activatable Organic Molecules
Authors: Takahashi Daisuke , Toshima Kazunobu
Published: July 2012

Review: 56 refs.
ChemInform Abstract: Arynes and Cyclohexyne in Natural Product Synthesis
Authors: Gampe Christian M. , Carreira Erick M.
Published: July 2012

Review: 109 refs.
ChemInform Abstract: Organocatalytic Synthesis of Optically Active Heteroaromatic Compounds
Authors: Albrecht Lukasz , Ransborg Lars Krogager , Joergensen Karl Anker
Published: July 2012

Review: 118 refs.
ChemInform Abstract: Methods for Direct Alkene Diamination: New & Old
Authors: De Jong Sam , Nosal Daniel G. , Wardrop Duncan J.
Published: July 2012

Review: ca. 300 refs.
ChemInform Abstract: Curcumin — From Molecule to Biological Function
Authors: Esatbeyoglu Tuba , Huebbe Patricia , Ernst Insa M. A. , Chin Dawn , Wagner Anika E. , Rimbach Gerald
Published: July 2012

Review: 259 refs.
ChemInform Abstract: Recent Developments in the Synthesis of Heterocycle‐Fused Isoindoles
Authors: Csende Ferenc , Miklos Ferenc , Stajer Geza
Published: July 2012

Review: 208 refs.
ChemInform Abstract: Synthesis of Nonconjugated Di‐, Tri‐, and Oligoenes
Authors: Roy K.‐M.
Published: July 2012

Review: 87 refs.
ChemInform Abstract: Dual‐Responsive Boronate Crosslinked Micelles for Targeted Drug Delivery
Authors: Chen Weixuan , Cheng Yunfeng , Wang Binghe
Published: July 2012

Review: 22 refs.
ChemInform Abstract: Building Bioinspired Artificial Functional Nanochannels: From Symmetric to Asymmetric Modification
Authors: Hou Xu , Zhang Huacheng , Jiang Lei
Published: July 2012

Review: ca. 100 refs.
ChemInform Abstract: Hydrogen Bonds with Fluorine. Studies in Solution, in Gas Phase and by Computations, Conflicting Conclusions from Crystallographic Analyses
Authors: Schneider Hans‐Joerg
Published: July 2012

Review: about 100 refs.
A comprehensive discussion of HMBC pulse sequences. 2. Some useful variants
Authors: Furrer Julien
Published: July 2012

The classical HMBC experiment, introduced in the first part, has revolutionized NMR spectroscopy for the structural studies of small to medium molecules, and impressive examples for structure elucidation of organic molecules, peptides, or natural products making use of the HMBC experiment have been published in the last 20 years. In the first article, we have explored the mechanisms of the two (2D)‐HMBC pulse sequence and have discussed how the pulse sequence elements cooperate to the observed cross‐peaks, wanted and unwanted. We have seen that further improvement of the 2D‐HMBC pulse sequence can be achieved by properly setting the acquisition and processing parameters. After a short introduction, this second article, with the aid of product operator formalism, will provide a comprehensive description of some useful HMBC pulse sequences. Building from basic principles, the constant‐time HMBC variant, the sensitivity‐enhanced HMBC, and some strategy for rejecting unwanted 1
JCH signals are explained in detail. © 2012 Wiley Periodicals, Inc. Concepts Magn Reson Part A 40A: 146–169, 2012.
A facile approach for synthesis of BiVO4 nano‐particles possessing high surface area and various morphologies
Authors: Golmojdeh H. , Zanjanchi M. A.
Published: July 2012

BiVO4 with dominant monoclinic structure and relatively high surface area has been prepared by a simple precipitation method. Smaller particle size and new morphologies were observed while using non‐toxic and common organic additives including ethylene diamine tetra acetic acid (EDTA) as the synthesis constituents. The prepared materials were characterized using structural, textural and microscopic techniques. The photocatalytic activities of the samples were checked using methylene blue, phenol and 2,4,6‐trichlorophenol as probe molecules and visible light as irradiation source. Also, hydrothermally‐ synthesized counterparts of the catalysts were prepared and their structure and photocatalytic efficiency were compared. The recovery of the catalysts after successive uses was also examined.
Model order reduction of nonlinear circuit equations
Authors: Steinbrecher Andreas , Stykel Tatjana
Published: July 2012

In this paper, we present a model order reduction approach for nonlinear circuit equations with a small number of nonlinear elements. This approach is based on the decoupling of linear and nonlinear subcircuits and reducing the linear part using balancing‐related model reduction techniques. The efficiency and applicability of the proposed model reduction approach is demonstrated on numerical examples. Copyright © 2012 John Wiley & Sons, Ltd.
Concurrent pleural infiltration by chronic lymphocytic leukemia and adenocarcinoma of unknown primary site diagnosed by effusion cytology
Authors: Vrettos Ioannis , Kamposioras Konstantinos , Peridis Stamatios , Aninos Dionisios , Kazika Stella , Spathis Aris , Karakitsos Petros , Papadopoulos Angelos
Published: July 2012

Synchronous malignancies in a pleural effusion are rare. A case of concurrent pleural infiltration by adenocarcinoma of unknown primary site and chronic lymphocytic leukemia (CLL) is presented in this case study, which was diagnosed by effusion cytology. Pleural effusion is not an uncommon complication in patients with B‐CLL. Even in a pleural effusion rich in monoclonal lymphocytes, the presence of a second cancer must be excluded because this can be the main cause of mortality. The role of cytology in such cases is of paramount importance. Diagn. Cytopathol. 2014;42:151–155. © 2012 Wiley Periodicals, Inc.
Cytomorphologic features of metastatic urothelial carcinoma in serous effusions
Authors: Cheng Huang Cheng , Attele Anoja , Michael Claire W.
Published: July 2012

Metastatic urothelial carcinoma (UC) to serous effusion (SE) is extremely rare and its cytomorphological features have only been described in case reports. In this study, we searched the pathology database at University of Michigan for SEs due to metastatic UC in the last 20 years. A total of 25 cases from 20 patients with clinically and pathologically confirmed metastatic UC in SEs were retrieved. The specimens consisted of 15 pleural, 8 peritoneal, and 2 pericardial effusions. Smears were reviewed and evaluated for the following features: cellularity, single cells, cell clusters or short cords, cell wrapping, “windows” between the cells, two‐tone cytoplasm, cytoplasmic vacuoles, signet ring cells, nuclear to cytoplasmic (N/C) ratio, nuclear hyperchromasia, irregular nuclear membrane, nuclear centricity, double or multiple nuclei, nucleoli, anaplastic cells and mitosis. Our results showed that UC manifested in SEs predominantly as a single cell population with or without clusters or short cords, and frequently exhibited the “cell wrapping” of two or more cells. Individual UC cell in SEs exhibited nuclear enlargement with increased N/C ratio, irregular nuclear membranes, hyperchromatic coarse chromatin and frequently prominent nucleoli. Double or multinucleated cells, cells with vacuolated cytoplasm or signet ring appearance were also frequently present. Our results demonstrated that while certain features could suggest the diagnosis of UC, the cytomorphological features are not specific and often overlap with those of reactive mesothelium, mesothelioma, metastatic adenocarcinoma, or squamous cell carcinoma in SEs. Accurate diagnosis of UC rests on the combination of clinical history, cytomorphologic features and appropriate immunohistochemical panel. Diagn. Cytopathol. 2013. © 2012 Wiley Periodicals, Inc.
CINtec® PLUS dual immunostain: A triage tool for cervical pap smears with atypical squamous cells of undetermined significance and low grade squamous intraepithelial lesion
Authors: Loghavi Sanam , Walts Ann E. , Bose Shikha
Published: July 2012

ASC and LSIL comprise the majority of abnormal Pap smears. Currently, high‐risk human papillomavirus testing is utilized to triage women with ASC for colposcopy; however, no cost effective triage method is available for LSIL. p16 and Ki‐67 have each been shown to be good biomarkers for high grade cervical intraepithelial neoplasia (HG CIN).We evaluated the role of the CINtec® PLUS p16/Ki‐67 dual immunostain as a marker for underlying (U) or subsequent (S) HG CIN. One hundred and eighty eight cervical SurePath Pap smears with histological and/or cytological follow‐up were retrieved from our departmental files. The Pap stained slides were destained and then immunostained utilizing the CINtec® PLUS dual staining reagent kit. Results of the dual stain were correlated with follow‐up diagnoses. Sensitivity, specificity, and positive and negative predictive values of CINtec® PLUS for U or S HG CIN were compared with those of HR HPV testing and with p16 and Ki‐67 immunostaining alone. The sensitivity of CINtec® PLUS for U or S HG CIN was 91% in the ASC group and 100% in the LSIL group, while the corresponding specificities were 61 and 43%, respectively. The sensitivity and specificity of CINtec® PLUS for U or S HG CIN in both groups combined were 97 and 53%, respectively. CINtec® PLUS was more specific than HR HPV testing and Ki‐67 and p16 immunostains alone in detecting an U or S HG CIN. CINtec® PLUS is a helpful adjunct in identifying U or S HG CIN when applied to SurePath Pap smears with ASC or LSIL. Diagn. Cytopathol. 2013. © 2012 Wiley Periodicals, Inc.
Increased diagnostic yield of endoscopic ultrasound‐guided fine needle aspirates with flow cytometry and immunohistochemistry
Authors: Sodikoff Jamie B. , Johnson Hunter L. , Lewis Melinda M. , Garud Sagar S. , Bharmal Sheila J. , Keilin Steven A. , Siddiqui Momin T. , Cai Qiang , Willingham Field F.
Published: July 2012

Endoscopic ultrasound‐guided fine needle aspiration (EUS‐FNA) is the most sensitive and specific test for establishing a tissue diagnosis for many gastrointestinal malignancies; however, cytologic morphology alone may not be definitive for subsets of tumors. Our aim was to quantify the impact of the broad application of flow cytometry (FC) and immunohistochemistry (IHC) on EUS‐FNA diagnostic yield.

A retrospective chart review was performed on EUS procedures at a tertiary referral, academic medical center. All EUS‐FNA cases performed over a 21‐month period were examined.

Of 606 EUS procedures reviewed during the period of study, 264 utilized FNA. After pancreatic cyst cases were excluded, 235 EUS‐FNA cases for 221 patients were selected for analysis. For cases with subsequent histological evaluation, including the subset utilizing FC/IHC, the sensitivity of EUS‐FNA was 89%, specificity was 100%, and accuracy was 91%. One quarter (58/235, 25%) of the tissue specimens underwent further testing by FC/IHC. There were 48 definitive diagnoses made in the subset utilizing FC/IHC. In 20 of the 48 diagnoses (42%), FC/IHC was deemed critical to the diagnosis, and without FC/IHC testing in those cases, the overall sensitivity and accuracy of EUS‐FNA would be reduced to 74 and 77%, respectively. FC/IHC allowed for six diagnoses rarely or not previously described by EUS‐FNA.

Application of FC/IHC improves characterization predominantly for nonadenocarcinoma tumor subtypes and may lead to a diagnostic result for tumors not previously characterized by EUS‐FNA. With an adequate tissue sample, broad application of FC/IHC increases the diagnostic yield of EUS‐FNA. Diagn. Cytopathol. 2013;41:1043–1051. © 2012 Wiley Periodicals, Inc.
Unexpected T‐cell recognition of an altered peptide ligand is driven by reversed thermodynamics
Authors: Allerbring Eva B. , Duru Adil D. , Uchtenhagen Hannes , Madhurantakam Chaithanya , Tomek Markus B. , Grimm Sebastian , Mazumdar Pooja A. , Friemann Rosmarie , Uhlin Michael , Sandalova Tatyana , Nygren Per‐Åke , Achour Adnane
Published: July 2012

The molecular basis underlying T‐cell recognition of MHC molecules presenting altered peptide ligands is still not well–established. A hierarchy of T‐cell activation by MHC class I‐restricted altered peptide ligands has been defined using the T‐cell receptor P14 specific for H‐2Db in complex with the immunodominant lymphocytic choriomeningitis virus peptide gp33 (KAVYNFATM). While substitution of tyrosine to phenylalanine (Y4F) or serine (Y4S) abolished recognition by P14, the TCR unexpectedly recognized H‐2Db in complex with the alanine‐substituted semiagonist Y4A, which displayed the most significant structural modification. The observed functional hierarchy gp33 > Y4A > Y4S = Y4F was neither due to higher stabilization capacity nor to differences in structural conformation. However, thermodynamic analysis demonstrated that while recognition of the full agonist H‐2Db/gp33 was strictly enthalpy driven, recognition of the weak agonist H‐2Db/Y4A was instead entropy driven with a large reduction in the favorable enthalpy term. The fourfold larger negative heat capacity derived for the interaction of P14 with H‐2Db/gp33 compared with H‐2Db/Y4A can possibly be explained by higher water entrapment at the TCR/MHC interface, which is also consistent with the measured opposite entropy contributions for the interactions of P14 with both MHCs. In conclusion, this study demonstrates that P14 makes use of different strategies to adapt to structural modifications in the MHC/peptide complex.