bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Interaction of Anthraquinone Triplet and α‐Phenylethyl Hydroperoxide in Benzene and Chlorobenzene.
Authors: MOGER G. , PAAL‐LUKACS J. , GAL D.
Published: May 2016

The quantum yields of the formation of products as well as their temp. dependence during the photochemical decomposition of the hydroperoxide (HROOH) are measured in the presence of triplet anthraquinone (TQ) in air‐saturated benzene and chlorobenzene at 301‐373 K. The photochemical and thermal decomposition of HROOH are compared.
ChemInform Abstract: 5,5‐Dimethyl‐1,2‐dithia‐3,7‐diselenacycloheptane ‐ A Storable Source for Disulfur, S2.
Authors: SCHMIDT M. , GOERL U. +
Published: May 2016

The title compound (V) is obtained as a light‐yellow air‐stable solid which is soluble in common organic solvents.
ChemInform Abstract: Fluorine Isocyanate (F‐NCO) ‐ A Reactive Intermediate.
Authors: GHOLIVAND K. , WILLNER H.
Published: May 2016

F‐NCO, presumably intermediate in attempts to produce it in four different ways, reacts to F2N‐CO‐NCO, F‐CO‐NCO, F2N‐CO‐F, and COF2 in various molar ratios.
ChemInform Abstract: Studies on the Pyridylpyrazolone System. Part 1. Some Reactions with 3‐(3′‐Pyridyl)‐1‐phenyl‐2‐pyrazolin‐5‐one.
Authors: ABDEL MEGGED M. F. , BORAI M. E. , FAHMY M. , EL‐SAIED A.
Published: May 2016

The pyridylpyrazolinone (I) undergoes condensation reaction with the carbonyl compounds (II) to yield the methylenepyrazolinones (III); the acetoacetic acid ester (IV) reacts with (I) to give the pyrazolopyrone (V).
ChemInform Abstract: Hofmann Degradation of β‐Hydroxy Ammonium Salts. Part 2. 4‐Hydroxybenzylisoquinolines and 4‐Hydroxyaporphines.
Authors: DOSHI H. , CARDIS A. B. , CRELLING J. K. , MILLER S. I. , DALTON D. R. , ZACHARIAS D. E. , GLUSKER J. P.
Published: May 2016

The benzodioxole (I) undergoes Friedel‐Crafts acylation with the bromophenylacetyl chloride (II), yielding the ketone (III).
ChemInform Abstract: A Simple Synthesis of Condensed Skeleton N‐Methyl‐Substituted 1,3‐Oxazines.
Authors: FERENC F. , PIHLALYA K. , GABOR B.
Published: May 2016

The hydroxymethylcycloalkylamines (Ia), (Ib), and (Id) undergo ring closure with formaldehyde (II) in the presence of formic acid, yielding the fused N‐methyl‐1,3‐oxazine derivatives (IIIa), (IIIb), and (IIId).
ChemInform Abstract: Reaction of Ethyl Azidoformate with Ketene Silyl Acetals.
Authors: CIPOLLONE A. , LORETO M. A. , PELLACANI L. , TARDELLA P. A.
Published: May 2016

Thermolysis of ethyl azidoformate (I) in the presence of the ketene silyl acetales (II) gives a mixture of the carbonyl compounds (III) ‐ (V).
ChemInform Abstract: Di‐tert‐butylphosphinic Iodide.
Authors: GOMELYA N. D. , FESHCHENKO N. G.
Published: May 2016

The iodophosphine (III), prepared from the chlorophosphine (I) and the iodosilane (II), reacts with ethylene oxide (IVa) or propylene oxide (IVb) to give the title compound (V).
ChemInform Abstract: Perfluoroorgano Tellurium Compounds: New Investigations on the Preparation of Te(Rf)2 and CH3TeRf (Rf: C2F5, C3F7, C6F5).
Authors: NAUMANN D. , KLEIN G.
Published: May 2016

Photochemical or thermal reactions of (I) with perfluoroalkyl iodides lead to the tellurides (III) or (VI), respectively.
ChemInform Abstract: Photochemical Cleavage of Benzylic Stannanes.
Authors: SOUNDARARAJAN N. , PLATZ M. S.
Published: May 2016

Photolytic cleavage of the benzylic stannanes (I) and (VIII) in benzene yields radicals which dimerize to form the diarylethanes (II) or the tetraphenylethane (VII) and the distannane (III).
ChemInform Abstract: Dimanganese Complexes of a Septadentate Ligand. Functional Analogues of the Manganese Pseudocatalase.
Authors: MATHUR P. , CROWDER M. , DISMUKES G. C.
Published: May 2016

The organic ligand reacts with Mn(ClO4)2 in MeCN in the presence of an aqueous solution of NBu4OH followed by addition of NEt4Cl to give the title complex (Ia) (yield 40%).
ChemInform Abstract: N‐(Aminoethyl)cyclam: A Tetraaza Macrocycle with a Coordinating Tail (Scorpiand). Acidity Controlled Coordination of the Side Chain to Nickel(II) and Nickel(III) Cations.
Authors: PALLAVICINI P. S. , PEROTTI A. , POGGI A. , SEGHI B. , FABBRIZZI L.
Published: May 2016

The novel functionalized macrocycle (III) is prepared from (I) and (II).
ChemInform Abstract: TMEDA‐Nickel Compounds. Part 2. Synthesis and Structure of the Formaldehyde Complex ((TMEDA)Ni(C2H4)(H2CO)).
Authors: SCHROEDER W. + , POERSCHKE K. R. + , TSAY Y.‐H. , KRUEGER C. +
Published: May 2016

The title complex (V) is synthesized according to the scheme and characterized by IR, 1H, and 13C NMR data as well as by X‐ray structure analysis (space group P21/n, Z=4 at ‐72 °C).
ChemInform Abstract: Fluorinated Anilides of β‐Keto Acids and Their Cu(II) Complexes.
Authors: JAMROZIK M. , KOLASA A.
Published: May 2016

The copper(II) complexes (V) of the pentafluoro anilides (III) are synthesized as shown in the reaction scheme.
ChemInform Abstract: 2,7,12,17‐Tetrapropylporphycene ‐ Analogue of Octaethylporphyrin in the Porphycene Series.
Authors: VOGEL E. , BALCI M. , PRAMOD K. , KOCH P. , LEX J. , ERMER O.
Published: May 2016

Whereas the solubilities of the tetramethyl‐ and tetraethylporphycenes (IIa) and (IIb) are hardly better than those of the unsubstituted parent compound, the tetrapropyl derivative (IIc) is soluble and crystallizes like octaethylporphyrin (1H, 13C NMR, IR, UV‐VIS, space group P21/c with Z=2).
ChemInform Abstract: Facile Synthesis of 4‐(Trifluoromethyl)‐1‐spinacine and 4‐(Trifluoromethyl)spinaceamine.
Authors: FUJII S. , MAKI Y. , KIMOTO H. , COHEN L. A.
Published: May 2016

L‐Histidine (I) is transformed with trifluoroacetaldehyde ethyl hemiacetal (II) (TFAE) into a mixture of the two diastereoisomers (IIIa) and (IIIb) of 4‐(trifluoromethyl)‐1‐spinacine.
ChemInform Abstract: Oxidative Coupling of Carboxylic Acid Dianions: The Total Synthesis of (.+‐.)‐Hinokinin and (.+‐.)‐Fomentaric Acid.
Authors: BELLETIRE J. L. , FRY D. F.
Published: May 2016

(±)‐Hinokinin (VI) is synthesized from the dihydrocinnamic acid (I) which is dimerized by consecutive treatment with LDA and iodine to give the diacid (II).
ChemInform Abstract: Visible Light Cleavage of Water by CdS Photoanode Coated with Polymer‐Pendant Ru(bpy)2+ 3 Film Containing RuO2 Dispersions.
Authors: KANEKO M. , OKADA T. , TERATANI S. , TAYA K.
Published: May 2016

n‐CdS photoanodes can be stabilized by coating with a polymer‐pendant Ru(bpy)32+ film in the presence of fine powders of RuO2 dispersed in the film.
ChemInform Abstract: Stability and Structure of Cluster Ions: Halide Ions with CO2.
Authors: HIRAOKA K. , MIZUSE S. , YAMABE S.
Published: May 2016

The gas‐phase clustering reactions outlined in the scheme have been investigated using a pulsed electron‐beam high‐pressure mass spectrometer and the thermodynamic data, ΔHn‐1,n and ΔS0 n‐1,n are derived.
ChemInform Abstract: Catalysis by Amorphous Metal Alloys. Part 6. Factors Controlling the Activity of Skeletal Nickel Catalysts Prepared from Amorphous and Crystalline Ni‐Zr Powder Alloys.
Authors: YAMASHITA H. , YOSHIKAWA M. , FUNABIKI T. , YOSHIDA S.
Published: May 2016

The activity of catalysts prepared by HF treatment of amorphous and crystalline Ni‐Zr alloys is dependent on the following factors: 1) the amount of surface Ni present on porous Ni species which reflects the degree of Zr dissolution; 2) the electron deficiency of surface Ni species, which depends on the surface‐relative concentration of unextracted Zr; 3) the size of Ni particles, which depends onthe structural homogeneity of the raw alloy.
ChemInform Abstract: One‐ and Two‐Photon Processes in the Photochemistry of 1,3‐Bis(1‐naphthyl)‐2‐propanone: An Example of a “Reluctant” Norrish Type I Reaction.
Authors: JOHNSTON L. J. , SCAIANO J. C.
Published: May 2016

The title compound (I) is studied by fluorescence, fluorescence lifetime, and phosphorescence measurements.
ChemInform Abstract: High‐Pressure Ammonolysis of Lactones to Hydroxy Amides.
Authors: MATSUMOTO K. , HASHIMOTO S. , OKAMOTO T. , OTANI S. , HAYAMI J.
Published: May 2016

High‐pressure reaction of the lactones (Ib) and (Ic) with the amines (II) yields the hydroxy amides (III).
ChemInform Abstract: An Interpretation of the Puzzling Dichotomy of the Reaction Modes Observed During the Side‐Chain Nitration of Alkylaromatics with HNO3/ CH2Cl2 and HNO3/(CH3CO)2O.
Authors: SUZUKI H. , KOIDE H. , TAKI Y. , OHBAYASHI E. , OGAWA T.
Published: May 2016

Side‐chain nitration of the pentamethylarenes (I) is performed using either nitric acid in acetic anhydride or nitric acid in methylene chloride.
ChemInform Abstract: Synthesis and Anticonvulsant Activity of Analogues of 4‐Amino‐N‐(1‐phenylethyl)benzamide.
Authors: CLARK C. R. , DAVENPORT T. W.
Published: May 2016

The benzamides (I) and their analogues (IV) and (V) are prepared by conventional methods.
ChemInform Abstract: Synthesis and Antitumor Activity of Tropolone Derivatives. Part 5.
Authors: YAMATO M. , HASHIGAKI K. , SAKAI J. , TAKEUCHI Y. , TSUKAGOSHI S. , TASHIRO T. , TSURUO T.
Published: May 2016

The bistropolone (I) reacts with dimethyl sulfate (II) to form the methylated products (III), (IV), and (Va).
ChemInform Abstract: C3‐Methylated 5‐Hydroxy‐2‐(dipropylamino)tetralins: Conformational and Steric Parameters of Importance for Central Dopamine Receptor Activation.
Authors: JOHANSSON A. M. , NILSSON J. L. G. , KARLEN A. , HACKSELL U. , SVENSSON K. , CARLSSON A. , KENNE L. , SUNDELL S.
Published: May 2016

The tetralone derivative (I) is aminated by reaction with hydroxylamine and subsequent reduction with sodium to give the amine (±)‐(II) which is N‐mono‐ or N‐bispropylated to yield the derivatives (IV).
ChemInform Abstract: A Reinvestigation of the Claisen Rearrangement of Methyl γ‐Aryloxycrotonates. A Convenient Synthesis of 3‐Ethylidenebenzofuran‐2(3H)‐ones.
Authors: SUNITHA K. , BALASUBRAMANIAN K. K.
Published: May 2016

Reaction of (I) and (II) at 0 °C yields the aryloxycrotonates (III), which undergo Claisen rearrangement and subsequent cyclization to give the (E)‐configurated benzofuranones (IV) (originally, crude mixtures of (E)‐ and (Z)‐isomers are obtained in 75‐80% yield, but after crystallization only the (E)‐isomers (IV) are isolated).
ChemInform Abstract: Fluorination with Concomitant Cyclization of CCl2=N‐CCl2‐CCl2‐N=CCl2 with SbF5 and Molecular Structure of a 2‐Imidazolidinone Derivative.
Authors: PAWELKE G. , BUERGER H. + , BRAUER D. J. , WILKE J.
Published: May 2016

Fluorination of the perchlorodiazahexadiene (I) yields the imidazolines (III) or (IV), depending on the amount of the fluorinating agent SbF5 (II) used.
ChemInform Abstract: Reaction of 2,4,6‐Trimethylpyrylium Salt with Organocopper Reagents: Selective Synthesis of 4H‐Pyrans.
Authors: YAMAMOTO Y. , KUME T. , AKIBA K.‐Y.
Published: May 2016

The trimethylpyrylium tetrafluoroborate (I) reacts with a slight excess of the cuprates (II) to give the 4‐substituted 4H‐pyrans (III) and the unstable 2H‐pyrans (IV) which decompose on purification.
ChemInform Abstract: The Preparation of 2‐(Heterocyclyl)thieno(3,2‐b)pyridine Derivatives.
Authors: ELLIOTT R. L. , O'HANLON P. J. , ROGERS N. H.
Published: May 2016

The title compounds (VII) are prepared from the carboxylate (I) via aminolysis of the bromide (V).
ChemInform Abstract: 1‐Oxotetrahydro‐2‐benzazepines from 1‐Methyl‐3,4‐dihydro‐5H‐2‐benzazepines: Synthesis of N‐Methyl‐7,8,9‐trimethoxy‐2,3,4,5‐tetrahydro‐1H‐2benzazepine.
Authors: ALONSO R. , TAKAHASHI K. , SCHOENENBERGER B. + , BROSSI A.
Published: May 2016

Reaction of 3,4,5‐trimethoxybenzaldehyde (I) with acetonitrile (II) in the presence of a base yields a mixture of the isomeric trimethoxycinnamonitriles (III).
ChemInform Abstract: Photochemistry of Conjugated Nitrogen‐Carbonyl Systems. Part 4. Photoisomerization of 4‐tert‐Butyl‐2‐pyridones and Chemical Properties of the Resulting 2‐Azabicyclo(2.2.0)hex‐5‐en‐3‐one and the Hexan‐3‐one Systems.
Authors: SATO E. , IKEDA Y. , KANAOKA Y. , OKAJIMA H.
Published: May 2016

Alkylation of 4‐tert‐butylpyridine (II) and subsequent oxidation produce the 1‐alkyl‐4‐tert‐butyl‐2‐pyridones (III) which undergo valence isomerization on photolysis, forming the azabicyclohexenones (IV).
ChemInform Abstract: Synthesis of Medium and Large Rings. Part 19. Determination of the Absolute Configurations of Chiral 3,6‐Hexanooxepines, (6)Paracyclophanes, and Related Compounds.
Authors: TOCHTERMANN W. , OLSSON G. , VOGT C. , PETERS E.‐M. , PETERS K. , VON SCHNERING H. G.
Published: May 2016

The absolute configurations of the chiral hexanooxepines (M)‐(Ia) and (P)‐(IIa) and the paracyclophane (M)‐(IIIa) are determined by X‐ray structural analysis of the camphanoyl derivatives (M)‐(Ic), (P)‐(10S)‐(IIb) (both: space group P21, Z=2) and (M)‐(IIIb) (P212121, Z=4 ).
ChemInform Abstract: Phosphorylated Nitrogen Heterocycles. Part 12. Phosphorylpropylation of Benzimidazole.
Authors: MATEVOSYAN G. L. , MATYUSHICHEV I. YU. , ZAVLIN P. M.
Published: May 2016

Starting with benzimidazole (VIII) or its N‐allyl derivative (I), the phosphorylated propylbenzimidazoles (IV), (VI), or (IX) and the benzimidazolylpropyl phosphites (XI) and (XIII) are synthesized as shown in the reaction scheme.
ChemInform Abstract: Acylphosphonates. Part 7. A New Method for Stereospecific and Stereoselective Generation of Dideoxyribonucleoside Phosphorothioates via the Acylphosphonate Intermediates.
Authors: FUJII M. , OZAKI K. , SEKINE M. , HATA T.
Published: May 2016

The dinucleoside trichloroethoxycarbonyl phosphonates (II) which are prepared using the reagent (I) are converted to the phosphite intermediates (IV) with entire retention of configuration at the phosphorus; subsequent treatment with elemental sulfur provides the phosphorothioates (V) which are deblocked to (VI).
ChemInform Abstract: Synthesis of New Prostaglandin‐Like Carboxamides.
Authors: GOENDOES G. + , GERA L. , WITTMANN G. , BALASPIRI L. , KOVACS K.
Published: May 2016

The carboxamides (III) are coupled, after ester hydrolysis, with ethyl glycylglycinate (V) to give the prostaglandin‐like compounds (VI) via the mixed anhydrides formed from (III) and isobutyl chloroformate (IV).
ChemInform Abstract: Exo‐ and Endohormones. Part 12. Synthesis of 7(E),9(Z)‐Dodecadien‐1‐yl Acetate, the Sex Pheromone of European Grape Vine Moth Lobesia Botrana, Involving Phase‐Transfer Technique.
Authors: DARADICS L. , OPREAN I. , HODOSAN F. , SERBAN N.
Published: May 2016

Horner coupling of the aldehyde (I) with the phosphonate (II) in a two‐phase system in the absence of a phase‐transfer catalyst represents the starting step in the synthesis of the dienes (VII).
ChemInform Abstract: Structural Properties and Phase Transitions of Y2BaCuO5 and YBa2Cu3O9‐δ.
Authors: FJELLVAG H. , KAREN P. , KJEKSHUS A.
Published: May 2016

The green, semiconducting Y2BaCuO5 phase is confirmed to be a normal valence compound and its structure is refined by neutron diffraction analysis.
ChemInform Abstract: Plasma‐Sprayed Semiconductor Electrodes. Characterization and Photoelectrochemical Properties of Coatings Obtained by the Projection of Doped and Undoped α‐Fe2O3.
Authors: PARENT L. , DODELET J. P. , DALLAIRE S.
Published: May 2016

Plasma‐sprayed undoped and Si‐, In‐ or Mg‐doped α‐Fe2O3 coatings have been characterized by optical microscopy, SEM, SIMS, neutron activation analysis, XRD, and electrochemical measurements.
ChemInform Abstract: The Hydrolysis of Metal Ions. Part 10. Kinetic and Equilibrium Measurements of Molybdenum(VI).
Authors: BROWN P. L. , SHYING M. E. , SYLVA R. N.
Published: May 2016

Numerical treatment of potentiometric titration data in 1.0 mol dm‐3 NaNO3 at 25 °C indicates that the solution equilibria of Mo(VI) include the species (I)‐(VIII).
ChemInform Abstract: Pasted‐Rolled Zinc Electrodes Containing Calcium Hydroxide for Use in Zn/NiOOH Cells.
Authors: GAGNON E. G. , WANG Y.‐M.
Published: May 2016

The durability of pasted‐rolled zinc electrodes prepared from a water‐based process in 26 Ah size zinc‐nickel oxide cells in 20 wt.% KOH has been investigated.
ChemInform Abstract: The Solubilities of LiFeO2 and (Li,K)2CrO4 in Molten Alkali Carbonates at 650 °C
Authors: HSU H. S. , DEVAN J. H. , HOWELL M.
Published: May 2016

have been measured under controlled oxidizing conditions (CO2‐O2‐Ar gas mixtures) simulating those of molten carbonate fuel cells (MCFC's).
ChemInform Abstract: Hydroxylamine Production via Hydrogenation of Nitric Oxide in Aqueous Sulfuric Acid Catalyzed by Carbon‐Supported Platinum.
Authors: POLIZZI S. , BENEDETTI A. , FAGHERAZZI G. , GOATIN C. , STROZZI R. , TALAMINI G. , TONIOLO L.
Published: May 2016

(POLIZZI, S.; BENEDETTI, A.; FAGHERAZZI, G.; GOATIN, C.; STROZZI, R.; TALAMINI, G.; TONIO‐ LO,‐ L.; J. Catal.
ChemInform Abstract: NMR and FT‐ IR Conformational Studies of 8‐Substituted Guanine Nucleosides and Nucleotides and Their Metal Adducts and Cancer.
Authors: POLISSIOU M. , THEOPHANIDES T.
Published: May 2016

It is shown by 1H and 13C NMR and FT‐ IR spectroscopy that important conformational changes take place in guanosine and guanosine‐5'‐monophosphate upon C‐8 substitution with bromine and upon N‐7 metalation with platinum.
ChemInform Abstract: Structural Study of Optical Resolution. Part 13. The Crystal Structures of the Racemic (δ,λ‐d,l) and the Optically Active (δ‐d) Tartrate Salts of the Tris(ethylenediamine)nickel(II) Complex.
Authors: MIZUTA T. , YONEDA H. , KUSHI Y.
Published: May 2016

The racemic compound crystallizes in the space group Pbca with Z = 8 and the optically active compound in C2221 with Z=8.
ChemInform Abstract: Photocondensation in Benzene Vapor by Single UV Laser Flashes.
Authors: KAUER M. , WAGNER H. GG.
Published: May 2016

Single flash photolysis at 248 nm causes formation of an aerosol mainly by condensation of the biphenyl and phenylcyclohexadiene produced.
ChemInform Abstract: Role of Lattice Oxygen Atoms in Partial Oxidations of Methane, Ethane and Ethylene Over Samarium Oxides.
Authors: OTSUKA K. , SAID A.‐A. A.
Published: May 2016

In order to examine whether the lattice oxygen atoms of Sm2O3 have better catalytic properties, activity and selectivity than the oxygen adsorbed on the surface of Sm2O3 for the oxidative coupling of the title substrates, a kinetic measurement is performed.
ChemInform Abstract: Hydroboration of Unsaturated Amines. Part 18. Hydroboration of 1‐(5‐Hexenyl)piperidine and trans‐1‐(3‐Hexenyl)piperidine.
Authors: KAFKA S. , KYTNER J. , SILHANKOVA A. , FERLES M.
Published: May 2016

The title compounds (I) and (V) are hydroborated by four methods: THF‐borane (method A)), 9‐borabicyclononane (method C)), diborane in situ (method D)) and NEt3‐borane (method E)).
ChemInform Abstract: Diastereo‐ and Enantioselective Reduction of β‐Keto Esters Derived from Cyclopentanone, Cyclohexanone, Piperidone and Tetralone by “Non‐fermenting” Baker′s Yeast.
Authors: SEEBACH D. , ROGGO S. , MAETZKE T. , BRAUNSCHWEIGER H. , CERCUS J. , KRIEGER M.
Published: May 2016

Under non‐fermenting conditions, i.e. in tap water, baker's yeast reduces β‐keto esters such as (I) with better stereoselectivity than under the normally employed "fermenting" conditions (sugar and nutrients, CO2 development).
ChemInform Abstract: A Novel Enantioselective Cyclization of a Chiral Epoxide to a Benzofuran System.
Authors: REDDY K. S. , KO O.‐H. , HO D. , PERSONS P. E. , CASSADY J. M.
Published: May 2016

The key step in the synthesis of the benzofuran derivative (X) is the cyclization of the optically active epoxy mesylate (IX).
ChemInform Abstract: A New Synthesis of 4‐ and 5‐Imidazolethiols.
Authors: SPALTENSTEIN A. , HOLLER T. P. , HOPKINS P. B.
Published: May 2016

Coupling of the aldehydes (II) with the primary amines (I) in the presence of sodium cyanide yields the cyanoamines (IV) which are acylated to give the amides (VI).
ChemInform Abstract: A Simple Preparation of 6‐Chloro‐5,8‐quinolinedione.
Authors: HABER A.
Published: May 2016

5,8‐Quinolinedione (I) is converted to the 6‐chloro derivative (II) by addition of hydrogen chloride and subsequent oxidation with ferric chloride.
ChemInform Abstract: 4‐Hydroxy‐2H‐(1)benzopyran‐2‐one as Starting Material for the Synthesis of Bis(benzopyrano)pyridines.
Authors: SCHURREIT T.
Published: May 2016

The benzopyranones (I) and (VII) undergo condensation reactions under various conditions to produce benzopyrano‐fused heterocycles such as (II) ‐ (IV) or (VIII).
ChemInform Abstract: Amination of Pyridinium Betaines. Synthesis of Substituted 2H‐Pyrido‐(1,2‐a)pyrimido(5,4‐e)pyrimidine and Its Dihydro Analogs.
Authors: KOCHKANYAN R. O. , LUKANYUK S. S.
Published: May 2016

Reaction of the pyridinium betaines (Ia) ‐ (Ic) with aqueous ammonium carbonate solution gives the cyclization products (II).
ChemInform Abstract: Solvent Effects on Redox Reactions. Part 2. The Cr(II) Reduction of Tris(pentane‐2,4‐dionato)cobalt(III) in Water/Acetone Solvent Mixtures.
Authors: LEWIS N. A. , RAY A. M.
Published: May 2016

Kinetic studies at mole fractions of acetone (0.06‐0.7), various acidities, and 25‐45 °C indicate three pathways: mono‐bridged inner‐sphere, di‐bridged inner‐sphere, and outer‐sphere reduction to give the products (Ia), (Ib), and (II), respectively.
ChemInform Abstract: Polynuclear Chromium(III) Complexes with Bromide Bridging. Thermal and Magnetic Studies.
Authors: CORBELLA M. , RIBAS J.
Published: May 2016

On heating in solid state, the complexes (I) and (IV) form the bromide‐bridged Cr complexes (III) via (II) and (V), respectively.
ChemInform Abstract: A New Route to the Formation of Cobaltic Acetate.
Authors: AL‐SHARQAWY J. A. M. , KHALIL M. I. , DABAN H.
Published: May 2016

The preparation of the title compound occurs by reacting metallic Co with acetic acid or acetic anhydride under reflux in the presence of an oxidizing nitrate group.
ChemInform Abstract: Complexes of Ruthenium with 1,3‐Bis(dimethylphosphino)propane.
Authors: BRESSAN M. , MORVILLO A.
Published: May 2016

The neutral complexes (III) are conveniently prepared by the reaction of the Ru‐complex (I) with the diphosphine (II) in benzene.
ChemInform Abstract: The Thioxanthone System as a Template in Free Radical Relay Chlorination of a Steroid.
Authors: BRESLOW R. , GUO T.
Published: May 2016

The nitroterephthalate (II) is coupled with sodium thiophenoxide (I) to give the thioether (III) which is hydrolyzed and then cyclized to yield the thioxanthonecarboxylic acid (IV).
ChemInform Abstract: K2Zn3O4 and Rb2Zn3O4, Oxozincates with Framework Structure.
Authors: BAIER R. , HOPPE R.
Published: May 2016

Single crystals of K2Zn3O4 have been obtained by annealing mixtures of the binary oxides (K: Zn = 2.2:3, sealed Pt‐tube, 800 °C).
ChemInform Abstract: The First Oxogallate with Chains of Tetrahedra.
Authors: HOPPE R. , MUELLER H.‐P. +
Published: May 2016

K2Na4(GaO3)2 has been prepared by annealing a mixture of the binary oxides (K:Na:Ga = 4.4:2.2:1, Ag cylinder, 600 °C, 25 d).
ChemInform Abstract: Stereoselective Reactions of Chiral Enamines and (Ethoxycarbonyl)nitrene.
Authors: FIORAVANTI S. , LORETO M. A. , PELLACANI L. , TARDELLA P. A.
Published: May 2016

Treatment of (Ia) with (II) according to a previously described procedure gives the optically active product (III).
ChemInform Abstract: (3 + 2) and (4 + 2) Cycloadditions with the M(CO)5‐Complexes of 3,5‐Diphenyl‐λ3‐phosphinin.
Authors: MAERKL G. + , BECKH H.‐J.
Published: May 2016

The phosphinin pentacarbonyl complexes (I) undergo cycloaddition with the nitrilimine (II), the nitrile oxides (VI), the butadienes (VIII), or dimethyl acetylenedicarboxylate (X), producing the phosphatricycles (III), (VII), (IX), and (XI).
ChemInform Abstract: Synthesis of Tricyclic Compounds via Sequential Intramolecular Michael Addition and Alkylation of β‐Keto Ester Ynones.
Authors: LAVALLEE J.‐F. , DESLONGCHAMPS P.
Published: May 2016

The 2‐methoxycarbonyl‐3‐oxoalkynylcyclohexanones (I) are cyclized, yielding the tricyclic enediones (II) as the main products, together with the compounds (III) ‐ (V).
ChemInform Abstract: Further Evidence for a Metal‐Oxo Intermediate in the Olefin Epoxidation by Iron or Manganese Bleomycin Complexes Associated with KHSO5, an Oxygen Atom Donor.
Authors: GIRARDET M. , MEUNIER B.
Published: May 2016

The olefin epoxidation with KHSO5 as an oxygen donor in the presence of manganese or iron bleomycin complexes is investigated using mainly cis‐ stilbene as the substrate.
ChemInform Abstract: Two‐Step Method for the Sulfonation of Alkenes with Small Cycles and of Acetylenes.
Authors: POPKOVA T. V. , SHASTIN A. V. , BALENKOVA E. S.
Published: May 2016

The sulfonates (IV) or (VII) are not accessible by direct sulfonation of the alkenes (I) or of the alkynes (V).
ChemInform Abstract: Angular Alkylation of 2‐Carboethoxytricyclo(5.2.1.02,6)decadienone and Its Implications for the Skeletal Integrity.
Authors: KLUNDER A. J. H. , LANGE J. H. M. , ZWANENBURG B.
Published: May 2016

The tricyclodecadienone ester (I) is alkylated after deprotonation to give the angular substitution products (III), which are rearranged to afford the Cope products (IV).
ChemInform Abstract: The Use of β‐Keto Thioesters for the Exceptionally Mild Preparation of β‐Keto Amides.
Authors: LEY S. V. , WOODWARD P. R.
Published: May 2016

The β‐keto thioloesters (I) react with the amines (II) in the presence of silver ions to give the β‐keto amides (III).
ChemInform Abstract: Regioselective Hydroalumination of Unsaturated Hydrocarbons with Alkylalanes Catalyzed by Zirconium Complexes.
Authors: DZHEMILEV U. M. , IBRAGIMOV A. G. , VOSTRIKOVA O. S. , VASIL'EVA E. V. , TOLSTIKOV G. A.
Published: May 2016

Dicyclopentadienylzirconium dichloride is a suitable catalyst for the regioselective hydroalumination of mono‐, di‐, or triolefins with diisobutylaluminum chloride (I).
ChemInform Abstract: Etherification of Isoamylenes with Methanol.
Authors: KRAUSE A. O. I. , HAMMARSTROEM L. G. +
Published: May 2016

Addition of methanol (II) to 2‐methyl‐1‐butene (I) or 2‐methyl‐2‐butene (IV) in the presence of an acidic cation‐exchange resin, arranged in a fixed‐bed of a flow‐through reactor, yields 3,3‐dimethyl‐2‐oxapentane (III).
ChemInform Abstract: Synthesis of New Types of Tetracyclo(4.3.0.02,4.03,7)nonane Hydrocarbons by Cyclo‐Codimerization of Norbornadiene and Its Derivatives with Diacetylenes and Vinylacetylenes Catalyzed by Low‐Valent Cobalt Complexes.
Authors: DZHEMILEV U. M. , KHUSNUTDINOV R. I. , MUSLIMOV Z. S. , TOLSTIKOV G. A.
Published: May 2016

The ternary system cobalt acetylacetonate‐triphenylphosphine‐diethylaluminum chloride catalyzes the cycloaddition reaction of the norbornadienes (I) with the acetylenic compounds (II), (V) and (VI), or (XII), producing the tetracyclic ring system mentioned in the title.
ChemInform Abstract: Synthesis and Diels‐Alder Reactions of Homodehydroisodicyclopentadiene.
Authors: IPAKTSCHI J. , HERBER J. , KALINOWSKI H.‐O. , BOESE R.
Published: May 2016

Treatment of the ketone (I), obtained from p‐benzoquinone and cyclopentadiene, with formic acid (II) yields the rearranged formate (IIIa) which is converted to the mesylate (IIIc).
ChemInform Abstract: Preparation of the Latent Form of the Central Fragment of Levuglandins of Series D. A Convenient Access to Synthons for Furanprostanoids and Generation of the Biologically Important α‐Methylene Ketone System.
Authors: TOLSTIKOV G. A. , MIFTAKHOV M. S. , VALEEV F. A. , AKBUTINA F. A.
Published: May 2016

The preparation of the stable cyclic acetals (IV) is described.
ChemInform Abstract: Preparation of α‐Quater‐, α‐Sexi‐, and α‐Octithiophenes.
Authors: NAKAYAMA J. , KONISHI T. , MURABAYASHI S. , HOSHINO M.
Published: May 2016

Bromination of the terthiophene (I) with NBS yields the mono‐ and dibromo terthiophenes (II) and (III).
ChemInform Abstract: Studies on 3‐Aminoindazoles. Part 1. Synthesis of 1‐ or 3‐(Substituted 3‐Amino)indazoles.
Authors: KAWAKUBO H. , FUKUZAKI K. , SONE T.
Published: May 2016

The substituted aminoindazoles mentioned in the title are prepared by three methods: electrochemical reduction of the thioamides (I) gives the 3‐substituted indazoles (II).
ChemInform Abstract: A Novel Silver Ion Assisted Cleavage of a Trichlorocyclopropane.
Authors: BROWN P. E. , ISLAM Q.
Published: May 2016

The fused trichlorocyclopropane (I) is cleaved in aqueous acetonitrile in the presence of silver ions to give the chromanone (II).
ChemInform Abstract: 2,3,6,7‐Bis(2′,3′‐quinolino)TCU: A Rigid syn‐Orthocyclophane.
Authors: THUMMEL R. P. , LIM J.‐L.
Published: May 2016

The tricyclic diketone (I), prepared from benzoquinone and cyclopentadiene by known methods, is coupled with 2‐aminobenzaldehyde (II) to produce the monoquinoline (III) and the bisquinoline (IV).
ChemInform Abstract: New Ferroelectric Liquid Crystal Materials. (+)‐4‐((2‐Methylbutyloxycarbonyl)phenyl) 4‐(5‐Alkyl‐1,3‐dioxan‐2‐yl)benzoate.
Authors: HARAMOTO Y. , KAMOGAWA H.
Published: May 2016

4‐Formylbenzoyl chloride (I) reacts with the phenols (II) to yield the esters (III).
ChemInform Abstract: The (6‐CB9H14)‐ Anion: The Missing Link between Parent Ten‐Vertex arachno‐Boranes and Dicarbaboranes.
Authors: STIBR B. , JELINEK T. , PLESEK J. , HERMANEK S.
Published: May 2016

Reduction of the carborane salt nido‐(6‐CB9H12)‐ (NMe3H)+ with sodium in refluxing liquid ammonia produces the arachno‐(6‐CB9H14)‐ anion (I).
ChemInform Abstract: Alkylphosphinic Surfactants with C14‐16‐Fatty Chain.
Authors: HERRANZ C.
Published: May 2016

Sodium hypophosphite (I), dissolved in ethanol‐water, reacts with the commercial α‐C14‐16‐olefins (II) in the presence of tert‐butyl perbenzoate to yield the alkylphosphinates (III).
ChemInform Abstract: Reaction of 3,4‐Dimethyl‐1‐oxa‐6,6aλ4‐diselena‐2‐azapentalene with Tetraphosphorus Decasulfide: A New Molecular Rearrangement. X‐Ray Crystal Structures of 3,4‐Dimethyl‐1‐oxa‐6,6aλ4‐diselena‐2‐azapentalene, 2,4‐Dimethyl‐1‐thia‐6,6aλ4‐diselena‐3‐azapentalene, and 2,4‐Dimethyl‐ 1,6‐dithia‐6aλ4‐selena‐3‐azapentalene.
Authors: ALLEN C. , BOEYENS J. C. A. , BRIGGS A. G. , DENNER L. , MARKWELL A. J. , REID D. H. , ROSE B. G.
Published: May 2016

The oxadiselenaazapentalene (I) is sulfurized with P4S10 in boiling benzene to form the two rearrangement products (II) and (III), together with the oxathiaselenaaza heterocycle (IV).
ChemInform Abstract: Regioselective Germyl‐Stannylation of α,β‐Acetylenic Esters.
Authors: PIERS E. , SKERLJ R. T.
Published: May 2016

The acetylenecarboxylates (I) react with tributylstannyltrimethylgermane (II) to produce the isomeric adducts (III) and (IV).
ChemInform Abstract: Synthesis and Reactions of the Coordinatively Unsaturated Hexafluorobut‐2‐yne Complex (WBr2(CO)(CF3CCCF3)2). The Crystal and Molecular Structure of ((W(C(CF3)=C(CF3)P(OEt)2O)(μ‐Br)(CO)(CF3CCCF3))2).
Authors: DAVIDSON J. L. , VASAPOLLO G. , MILLAR J. C. , MUIR K. W.
Published: May 2016

According to the scheme, the title complex (III) is obtained in which the CO ligand appears to function as a σ‐donor ligand only (IR data).
ChemInform Abstract: New‐Dimensional Cyclam. Synthesis, Crystal Structure, and Chemical Properties of Macrocyclic Tetraamines Bearing a Phenol Pendant.
Authors: KIMURA E. , KOIKE T. , UENISHI K. , HEDIGER M. , KURAMOTO M. , JOKO S. , ARAI Y. , KODAMA M. , IITAKA Y.
Published: May 2016

The 13‐15‐membered macrocycles (III) and (VI) attached with a phenolic pendant are prepared from the coumarins (I).
ChemInform Abstract: Polynuclear Metal Complexes with Bridging Carbene or Carbyne Ligands. Part 62. Synthesis of Penta‐, Hexa‐, and Hepta‐heteronuclear Metal Cluster Compounds Involving Tungsten or Molybdenum with Platinum or Nickel: Crystal Structures of the Chain Compounds (Pt3W3(μ‐CMe)(μ3‐CMe)2(CO)6(cod)(η‐C5Me5)3)·0.5 CH2Cl2 and (Pt3W4(μ‐CC6H4Me‐4)2(μ3‐CC6H4Me‐4)2(CO)8(η‐C5H5)4).
Authors: DAVIES S. J. , ELLIOTT G. P. , HOWARD J. A. K. , NUNN C. M. , STONE F. G. A.
Published: May 2016

Addition of Pt(cod)2 (II) to the pentaheteronuclear cluster (I) affords the hexanuclear Pt3W3 complex (IIIa).
ChemInform Abstract: Synthesis of Chelate Stabilized Alcohol‐ and Alkoxo‐Platinum(II) Complexes. X‐Ray Crystal Structure of Cyclic (Pt(PPh2CH2CMe2O)2)·3.5 H2O.
Authors: ALCOCK N. W. , PLATT A. W. G. , PRINGLE P.
Published: May 2016

The reaction of the novel phosphine (III), prepared as shown, with the Pt complexes (IV) and (VIII) gives the cis‐ and trans‐derivatives (V) and (IX), respectively.
ChemInform Abstract: Synthesis and Reactivity of Mixed Pentafluorophenyl Platinum(I)‐Palladium(I) Derivatives.
Authors: USON R. , FORNIES J. , MARTINEZ F. , NAVARRO R. , CRUZ FRIAS M.
Published: May 2016

The 2:1 molar reaction of the trans‐Pt(II) complexes (I) with the dipalladium(0) complex (II) leads to the diphosphine‐bridged Pt(I)‐Pd(I) compounds (III).
ChemInform Abstract: Neighbouring Group Participation in the Reduction of the Diterpenoid Fujenal.
Authors: BAYNHAM M. K. , DICKINSON J. M. , HANSON J. R. , HITCHCOCK P. B.
Published: May 2016

Reduction of the title compound (I) with the bulky tri‐tert.‐butoxyaluminum hydride yields the carboxylic acid (IIIa).
ChemInform Abstract: Enantioselective (2.3) Wittig Ring Contraction Induced by Chiral Bases. The Total Synthesis and Absolute Configuration of (+)‐Aristolactone.
Authors: MARSHALL J. A. , LEBRETON J.
Published: May 2016

The macrocyclic allyl propargyl ether (I) is subjected to enantioselective ring contraction in the presence of chiral lithium amides to produce the enantiomeric hydroxycycloalkenynes (II).
ChemInform Abstract: Structure Elucidation of the Glycopeptide Antibiotic Complex A40926.
Authors: WALTHO J. P. , WILLIAMS D. H. , SELVA E. , FERRARI P.
Published: May 2016

The title antibiotic represents a complex of glycopeptides produced by the Actinomadura strain ATCC 39726.
ChemInform Abstract: Impurity Doping During Si Epitaxy by Means of CO2 Laser CVD.
Authors: MEGURO T. , OKABAYASHI O. , ITOH T.
Published: May 2016

P‐doped n‐type single crystalline Si has been grown on (100) Si using SiH4 containing PH3 (20‐2000 ppm) as a donor impurity.
Potassium‐Based α‐Manganese Dioxide Nanofiber Binder‐Free Self‐Supporting Electrodes: A Design Strategy for High Energy Density Batteries
Authors: Poyraz Altug S. , Huang Jianping , Wu Lijun , Bock David C. , Zhu Yimei , Marschilok Amy C. , Takeuchi Kenneth J. , Takeuchi Esther S.
Published: May 2016

This work minimizes the passive components of electrodes and moves toward bridging the gap between actual and theoretical battery gravimetric energy density. Binder‐free self‐supporting (BFSS) cathodes were prepared from redox‐active, high aspect ratio, potassium α‐MnO2 nanofibers (K‐OMS‐2) by eliminating the binder and current collector. The electroactive and structural element, K‐OMS‐2, was prepared by using a scalable, moderate temperature, aqueous synthesis. The BFFS electrode approach allows fabrication of thick, high energy density electrodes with low impedance, with up to 10‐fold improvement in delivered specific energy relative to conventional cathodes. This could enable the design of high‐capacity large form factor cells, as required for applications demanding high energy content. In principle, this approach suggests a widely applicable paradigm for the construction of other BFFS electrodes through the targeted synthesis of other transition‐metal oxides with high aspect, fibrous morphologies.
Calibration procedure for secular frequency scanning in ion trap mass spectrometers
Authors: Snyder Dalton T. , Pulliam Christopher J. , Cooks R. Graham
Published: May 2016

Rationale

Mass spectra can be recorded using ion traps by scanning the frequency of an alternating current (ac) signal that corresponds to the secular frequency of a trapped ion. There is a considerable simplification in the instrumentation needed to perform such a scan compared with conventional scans of the radiofrequency (rf) amplitude. However, mass calibration is difficult. An algorithm that can be used to achieve mass calibration is investigated and the factors that affect ion mass assignments are discussed.

Methods

Time domain data, recorded using a commercial benchtop linear ion trap mass spectrometer, are converted to the m/z domain using ion Mathieu parameter qu values which are derived from the dimensionless frequency parameter βu expressed as a continuing fraction in terms of qu. The relationship between the operating parameters of an ideal ion trap and the ion m/z ratio is derived from the Mathieu equations and expressed as an algorithm which through successive approximations yields the Mathieu qu value and hence m/z values and peak widths. The predictions of the algorithm are tested against experiment by sweeping the frequency of a small supplementary ac signal so as to cause mass‐selective ejection of trapped ions.

Results

Calibration accuracy is always better than 0.1%, often much better. Peak widths correspond to a mass resolution of 250 to 500 in the m/z 100–1800 range in secular frequency scans.

Conclusions

A simple, effective method of calibration of mass spectra recorded using secular frequency scans is achieved. The effects of rf amplitude, scan rate, and ac amplitude on calibration parameters are shown using LTQ linear ion trap data. Corrections for differences in ion mass must be made for accurate calibration, and this is easily incorporated into the calibration procedure. Copyright © 2016 John Wiley & Sons, Ltd.
Actual Long‐Term Survival Outcome of 403 Consecutive Patients with Hilar Cholangiocarcinoma
Authors: Kang Mee Joo , Jang Jin‐Young , Chang Jihoon , Shin Yong Chan , Lee Dooho , Kim Hong Beom , Kim Sun‐Whe
Published: May 2016

Background

Despite aggressive surgical resection, prognosis of patients with hilar cholangiocarcinoma is still unsatisfactory. There were limited data about actual long‐term survival outcome. This study was designed to explore actual long‐term survival outcome of hilar cholangiocarcinoma after surgical treatment, and to investigate the characteristics of patients with actual long‐term survival.

Methods

The study cohort consisted of 403 consecutive patients with at least 5‐year follow‐up after surgical treatment for hilar cholangiocarcinoma at Seoul National University Hospital between 1991 and 2010. Prognostic factors were analyzed with Cox proportional hazard models, and the effect of adjuvant treatment was evaluated by propensity score analysis.

Results

Of all patients, R0 resection rate was 41.2 and 63.8 % among intended curative resection. Adjuvant therapy was performed in 48.8 % after curative surgery. Actual 5‐year overall survival (OS) rate was 18.9, and 30.1 % after R0 resection. Actual 5‐year disease‐free survival rate was 25.8 % after resection. Adjuvant treatment improved prognosis in patients with positive metastatic lymph nodes (median OS 21.9 vs. 11.5 months, p = 0.003). Overall recurrence rate was 55.0 %, and distant metastasis (39.7 %) was more frequent than loco‐regional recurrence (20.8 %). Lymph node metastasis (p = 0.021) and poor histologic grade (p < 0.001) were independent prognostic factors after curative resection. Patients who survived more than 5 years had less lymph node metastasis (p = 0.025), poor histologic differentiation (p = 0.010), R2 resection (p = 0.040), and recurrence (p < 0.001).

Conclusion

Actual 5‐year OS rate after R0 resection of hilar cholangiocarcinoma is 30.1 %. Adjuvant treatment could be beneficial in patients with lymph node metastasis.
Student‐Athletes’ Views on APOE Genotyping for Increased Risk of Poor Recovery after a Traumatic Brain Injury
Authors: Hercher Laura S. , Caudle Michelle , Griffin Julie , Herzog Matthew , Matviychuk Diana , Tidwell Jenna
Published: May 2016

Use of apolipoprotein E genotyping to personalize the risk of a poor recovery after traumatic brain injury is complicated by the potential for genetic discrimination and the potential to reveal an increased risk for late onset Alzheimer's disease. We developed a survey to gauge interest in testing among athletes participating in National Collegiate Athletic Association programs. Eight hundred and forty seven student‐athletes were surveyed to determine their interest in genetic testing, their willingness to share the results of testing with parents, coaches and physicians, their concerns about privacy and/or discrimination, and their interest in genetic counseling. Nearly three quarters of respondents expressed some level of interest in testing, with the largest number describing themselves as ‘possibly interested’ (54.9 %, n = 463) and a smaller number describing themselves as ‘very interested’ (18.9 %, n = 159). Most student‐athletes said that receiving secondary information about their risk for late‐onset Alzheimer's disease made them more likely to test (50.6 %, n = 426) rather than less likely to test (12.4 %, n = 104). Student‐athletes were open to apolipoprotein E genotyping and willing to share test results with their parents, coaches and physicians. They did not anticipate that test results would impact their behavior or ability to play. Testing programs may be welcome but should provide clear information as to risks and benefits.
Volume-of-fluid simulations of bubble dynamics in a vertical Hele-Shaw cell
Authors: Wang Xue , Klaasen Bart , Degrève Jan , Mahulkar Amit , Heynderickx Geraldine , Reyniers Marie-Françoise , Blanpain Bart , Verhaeghe Frederik
Published: May 2016

Bubbles in confined geometries serve an important role for industrial operations involving bubble-liquid interactions. However, high Reynolds number bubble dynamics in confined flows are still not well understood due to experimental challenges. In the present paper, combined experimental and numerical methods are used to provide a comprehensive insight into these dynamics. The bubble behaviour in a vertical Hele-Shaw cell is investigated experimentally with a fully wetting liquid for a variety of gap thicknesses. A numerical model is developed using the volume of fluid method coupled with a continuum surface force model and a wall friction model. The developed model successfully simulates the dynamics of a bubble under the present experimental conditions and shows good agreement between experimental and simulation results. It is found that with an increased spacing between the cell walls, the bubble shape changes from oblate ellipsoid and spherical-cap to more complicated shapes, while the bubble path changes from only rectilinear to a combination of oscillating and rectilinear; the bubble drag coefficient decreases and this results in a higher bubble velocity caused by a lower pressure exerted on the bubble; the wake boundary and wake length evolve gradually accompanied by vortex formation and shedding.
Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores
Authors: Burris Paul C. , Laage Damien , Thompson Ward H.
Published: May 2016

Vibrational spectroscopy is frequently used to characterize nanoconfined liquids and probe the effect of the confining framework on the liquid structure and dynamics relative to the corresponding bulk fluid. However, it is still unclear what molecular-level information can be obtained from such measurements. In this paper, we address this question by using molecular dynamics (MD) simulations to reproduce the linear infrared (IR), Raman, and two-dimensional IR (2D-IR) photon echo spectra for water confined within hydrophilic (hydroxyl-terminated) silica mesopores. To simplify the spectra the OH stretching region of isotopically dilute HOD in D2O is considered. An empirical mapping approach is used to obtain the OH vibrational frequencies, transition dipoles, and transition polarizabilities from the MD simulations. The simulated linear IR and Raman spectra are in good general agreement with measured spectra of water in mesoporous silica reported in the literature. The key effect of confinement on the water spectrum is a vibrational blueshift for OH groups that are closest to the pore interface. The blueshift can be attributed to the weaker hydrogen bonds (H-bonds) formed between the OH groups and silica oxygen acceptors. Non-Condon effects greatly diminish the contribution of these OH moieties to the linear IR spectrum, but these weaker H-bonds are readily apparent in the Raman spectrum. The 2D-IR spectra have not yet been measured and thus the present results represent a prediction. The simulated spectra indicates that it should be possible to probe the slower spectral diffusion of confined water compared to the bulk liquid by analysis of the 2D-IR spectra.
Characterization of chemical doping of graphene by in-situ Raman spectroscopy
Authors: Kim S. J. , Park S. J. , Kim H. Y. , Jang G. S. , Park D. J. , Park Ji-Yong , Lee Soonil , Ahn Y. H.
Published: May 2016

We explored single-layer graphene and graphene field-effect transistors immersed in nitric acid using in-situ Raman spectroscopy. Two distinct stages were observed in the chemical doping process. The first stage involved blue shifts of the G and 2D peaks, whose saturation occurred rapidly with a time constant in the range of 10–25 s depending on the molar concentration of the acid. In the second stage, the intensity of the D peak, which was associated with structural defect formation, increased for a relatively long period of time. Since the major doping effects appeared during the first stage, the optimal doping conditions under which no noticeable structural defect formation occurred can be determined by monitoring the frequency shift. Transient doping concentrations along with structural defect densities were obtained from the Raman peak positions and intensities. We found that the doping-induced shift in the Dirac point in graphene field-effect transistors exhibited a fast response with respect to frequency shifts in the Raman spectra, which was attributed to the saturation of electrostatic gating effects.
Single shot near edge x-ray absorption fine structure spectroscopy in the laboratory
Authors: Mantouvalou I. , Witte K. , Martyanov W. , Jonas A. , Grötzsch D. , Streeck C. , Löchel H. , Rudolph I. , Erko A. , Stiel H. , Kanngießer B.
Published: May 2016

With the help of adapted off-axis reflection zone plates, near edge X-ray absorption fine structure spectra at the C and N K-absorption edge have been recorded using a single 1.2 ns long soft X-ray pulse. The transmission experiments were performed with a laser-produced plasma source in the laboratory rendering time resolved measurements feasible independent on large scale facilities. A resolving power of E/ΔE ∼ 950 at the respective edges could be demonstrated. A comparison of single shot spectra with those collected with longer measuring time proves that all features of the used reference samples (silicon nitrate and polyimide) can be resolved in 1.2 ns. Hence, investigations of radiation sensitive biological specimen become possible due to the high efficiency of the optical elements enabling low dose experiments.
Mode competition and selection in overmoded surface wave oscillator
Authors: Wang Guangqiang , Wang Jianguo , Zeng Peng , Wang Dongyang , Li Shuang
Published: May 2016

The overmoded surface wave oscillator (SWO) is one of the promising devices to generate high-power millimeter and subterahertz waves for its merits of high efficiency and easy fabrication. But the employed slow wave structure with large diameter may introduce mode competition as the adverse effects. Therefore, the mode competition and selection in the overmoded surface wave oscillator are investigated in detail in this paper. By using the theoretical analysis and particle-in-cell simulation, the potential transverse mode and axial mode competition is pointed out, and the physical mechanisms and methods for mode selection are investigated. At last, the results are verified in the design of a 0.14 THz overmoded SWO without mode competition, which can generate the output power up to 70 MW at the frequency of 146.3 GHz with conversion efficiency almost 20% when beam voltage and current are, respectively, about 313 kV and 1.13 kA.