bluuebunny/crossref_metadata_2025 huggingface dataset:
A Comparison of Pyridazine and Pyridine as Electrocatalysts for the Reduction of Carbon Dioxide to Methanol
Authors: Portenkirchner Engelbert , Enengl Christina , Enengl Sandra , Hinterberger Gabriele , Schlager Stefanie , Apaydin Dogukan , Neugebauer Helmut , Knör Günther , Sariciftci Niyazi S.
Published: August 2014

The electrocatalytic reduction of CO2 to methanol is explored by the direct comparison of protonated pyridazine and pyridine for their capabilities towards CO2 reduction. The two materials inherit a significant difference in their pKa values adding valuable information to the ongoing discussion on the nature of CO2 reduction catalyzed by pyridinium and similar nitrogen containing heteroaromatic systems. Cyclic voltammetry studies as well as bulk controlled‐potential electrolysis experiments were performed combined with product analysis using gas chromatography. Methanol was detected as main CO2 reduction product in all cases.
Synthesis of a Redox‐Active Denpol as a Potential Electrode in Rechargeable Organic Batteries
Authors: Kim Jonggi , Kim Jieun , Lee Jungho , Song Hyun‐Kon , Yang Changduk
Published: August 2014

Together with ring‐opening metathesis polymerization, a controlled protocol of a progressive addition of the ultrafast‐initiating and more reactive third‐generation Grubbs catalyst yields a dendronized polymer (denpol) containing multi‐anthraquinone‐terminated dendrons (AQ‐ter‐denpol) (Mn=14.0 kDa) with a unimodal molar mass distribution (polydispersity index=1.20), fully characterized by 1H nuclear magnetic resonance spectroscopy. AQ‐ter‐denpol is investigated as an organic cathode material for rechargeable Li‐ion batteries, with a view to its unique morphology. Our methodologies establish an opportunity for developing a new generation of organic electrodes based on denpols.
The Benzylperoxyl Radical as a Source of Hydroxyl and Phenyl Radicals
Authors: Sander Wolfram , Roy Saonli , Bravo‐Rodriguez Kenny , Grote Dirk , Sanchez‐Garcia Elsa
Published: August 2014

The benzyl radical (1) is a key intermediate in the combustion and tropospheric oxidation of toluene. Because of its relevance, the reaction of 1 with molecular oxygen was investigated by matrix‐isolation IR and EPR spectroscopy as well as computational methods. The primary reaction product of 1 and O2 is the benzylperoxyl radical (2), which exists in several conformers that can easily interconvert even at cryogenic temperatures. Photolysis of radical 2 at 365 nm results in a formal [1,3]‐H migration and subsequent cleavage of the OO bond to produce a hydrogen‐bonded complex between the hydroxyl radical and benzaldehyde (4). Prolonged photolysis produces the benzoyl radical (5) and water, which finally yield the phenyl radical (7), CO, and H2O. Thus, via a sequence of exothermic reactions 1 is transformed into radicals of even higher reactivity, such as OH and 7. Our results have implications for the development of models for the highly complicated process of combustion of aromatic compounds.
Photophysical Properties of Ruthenium(II) Polypyridyl DNA Intercalators: Effects of the Molecular Surroundings Investigated by Theory
Authors: Véry Thibaut , Ambrosek David , Otsuka Miho , Gourlaouen Christophe , Assfeld Xavier , Monari Antonio , Daniel Chantal
Published: August 2014

The environmental effects on the structural and photophysical properties of [Ru(L)2(dppz)]2+ complexes (L=bpy=2,2′‐bipyridine, phen=1,10‐phenanthroline, tap=1,4,5,8‐tetraazaphenanthrene; dppz=dipyrido[3,3‐a:2′,3′‐c]phenazine), used as DNA intercalators, have been studied by means of DFT, time‐dependent DFT, and quantum mechanics/molecular mechanics calculations. The electronic characteristics of the low‐lying triplet excited states in water, acetonitrile, and DNA have been investigated to decipher the influence of the environment on the luminescent behavior of this class of molecules. The lowest triplet intra‐ligand (IL) excited state calculated at λ≈800 nm for the three complexes and localized on the dppz ligand is not very sensitive to the environment and is available for electron transfer from a guanine nucleobase. Whereas the lowest triplet metal‐to‐ligand charge‐transfer (3MLCT) states remain localized on the ancillary ligand (tap) in [Ru(tap)2(dppz)]2+, regardless of the environment, their character is drastically modified in the other complexes [Ru(phen)2(dppz)]2+ and [Ru(bpy)2(dppz)]2+ upon going from acetonitrile (MLCTdppz/phen or MLCTdppz/bpy) to water (MLCTdppz) and DNA (MLCTphen and MLCTbpy). The change in the character of the low‐lying 3MLCT states accompanying nuclear relaxation in the excited state controls the emissive properties of the complexes in water, acetonitrile, and DNA. The light‐switching effect has been rationalized on the basis of environment‐induced control of the electronic density distributed in the lowest triplet excited states.
Drug Conjugation to Cyclic Peptide–Polymer Self‐Assembling Nanotubes
Authors: Blunden Bianca M. , Chapman Robert , Danial Maarten , Lu Hongxu , Jolliffe Katrina A. , Perrier Sébastien , Stenzel Martina H.
Published: August 2014

We show for the first time how polymeric nanotubes (NTs) based on self‐assembled conjugates of polymers and cyclic peptides can be used as an efficient drug carrier. RAPTA‐C, a ruthenium‐based anticancer drug, was conjugated to a statistical co‐polymer based on poly(2‐hydroxyethyl acrylate) (pHEA) and poly(2‐chloroethyl methacrylate) (pCEMA), which formed the shell of the NTs. Self‐assembly into nanotubes (length 200–500 nm) led to structures exhibiting high activity against cancer cells.
Engineering the Donor Selectivity of D‐Fructose‐6‐Phosphate Aldolase for Biocatalytic Asymmetric Cross‐Aldol Additions of Glycolaldehyde
Authors: Szekrenyi Anna , Soler Anna , Garrabou Xavier , Guérard‐Hélaine Christine , Parella Teodor , Joglar Jesús , Lemaire Marielle , Bujons Jordi , Clapés Pere
Published: August 2014

D‐Fructose‐6‐phosphate aldolase (FSA) is a unique catalyst for asymmetric cross‐aldol additions of glycolaldehyde. A combination of a structure‐guided approach of saturation mutagenesis, site‐directed mutagenesis, and computational modeling was applied to construct a set of FSA variants that improved the catalytic efficiency towards glycolaldehyde dimerization up to 1800‐fold. A combination of mutations in positions L107, A129, and A165 provided a toolbox of FSA variants that expand the synthetic possibilities towards the preparation of aldose‐like carbohydrate compounds. The new FSA variants were applied as highly efficient catalysts for cross‐aldol additions of glycolaldehyde to N‐carbobenzyloxyaminoaldehydes to furnish between 80–98 % aldol adduct under optimized reaction conditions. Donor competition experiments showed high selectivity for glycolaldehyde relative to dihydroxyacetone or hydroxyacetone. These results demonstrate the exceptional malleability of the active site in FSA, which can be remodeled to accept a wide spectrum of donor and acceptor substrates with high efficiency and selectivity.
Large Hyperconjugation in Strained Systems
Authors: Racine Julien , Humbel Stéphane
Published: August 2014

Carbocations can appear as transient species, for instance, in elimination reactions and various rearrangements. Hyperconjugation (or conjugation) can then stabilize the cationic character and form a partial π bond. The effect of the electronic delocalization from strained substituents to a carbocation part was calculated. Very large hyperconjugation was found, sometimes more than 80 kcal mol−1, which is much larger than typical conjugation effects (56 kcal mol−1 for the allyl cation).
Concise Stereoselective Synthesis of Oxaspirocycles with 1‐Tosyl‐1,2,3‐triazoles: Application to the Total Syntheses of (±)‐Tuberostemospiroline and (±)‐Stemona‐lactam R
Authors: Fu Junkai , Shen Hongjuan , Chang Yuanyuan , Li Chuangchuang , Gong Jianxian , Yang Zhen
Published: August 2014

A 4‐substituted‐1‐tosyl‐1,2,3‐triazole‐based stereoselective synthesis of structurally diverse oxaspirocycles is reported. The synthesis involves Rh‐catalyzed loss of nitrogen from 4‐substituted‐1‐tosyl‐1,2,3‐triazoles, Grignard reaction, and a ring‐closing metathesis reaction as key steps. By employing readily available and stable 4‐substituted‐1‐tosyl‐1,2,3‐triazoles as surrogates of diazo compounds and nitrogen sources, two types of oxaspirocycles were obtained. The latter compounds, which contain adjacent nitrogen stereocenters, could serve as the core structures of many natural products. This chemistry has been successfully applied to the total syntheses of (±)‐tuberostemospiroline and (±)‐stemona‐lactam R.
Rhodium(III)‐Catalyzed Intramolecular Redox‐Neutral Annulation of Tethered Alkynes: Formal Total Synthesis of (±)‐Goniomitine
Authors: Zhou Bing , Du Juanjuan , Yang Yaxi , Li Yuanchao
Published: August 2014

A RhIII‐catalyzed intramolecular redox‐neutral atom‐economic annulation of a tethered alkyne has been developed to efficiently construct 2‐amidealkyl indoles with completely reversed regioselectivity by a CH activation pathway. Furthermore, using the RhIII‐catalyzed CH activation/annulation as a key step, a one‐pot synthesis of pyrido[1,2‐a]indoles has also been developed and applied to a highly efficient formal total synthesis of (±)‐goniomitine.
ChemInform Abstract: Syntheses and Properties of a Family of New Compounds RE3Sb3Co2O14 (RE: La, Pr, Nd, Sm—Ho) with an Ordered Pyrochlore Structure.
Authors: Li Kuo , Hu Yufei , Wang Yingxia , Kamiyama Takashi , Wang Bingwu , Li Zhaofei , Lin Jianhua
Published: August 2014

As an example of the isostructural Ln3Sb3Co2O14 (Ln: La, Pr, Nd, Sm—Ho) series with an ordered pyrochlore structure, the La variant is prepared by a citrate complex method employing stoichiometric amounts of La(NO3)3, Co(NO3)2, and Sb tartrate together with citric acid with a metal/citrate molar ratio of 1:2 (1.
ChemInform Abstract: Self‐Irradiation and Oxidation Effects on Americium Sesquioxide and Raman Spectroscopy Studies of Americium Oxides.
Authors: Horlait Denis , Caraballo Richard , Lebreton Florent , Jegou Christophe , Roussel Pascal , Delahaye Thibaud
Published: August 2014

Oxygen deficient 241AmO2‐δ is used as precursor for XRD monitoring experiments of α self‐irradiation effects on A‐type Am2O3 which is obtained by reducing heat treatment (1273 K, 2 h, 4% H2/Ar atmosphere).
ChemInform Abstract: Investigations on Bi25FeO40 Powders Synthesized by Hydrothermal and Combustion‐Like Processes.
Authors: Koeferstein Roberto , Buttlar Toni , Ebbinghaus Stefan G.
Published: August 2014

Phase‐pure iron sillenite (Bi25FeO40) powders are prepared by hydrothermal reaction of Bi(NO3)3 and Fe(NO3)3 in aq.
ChemInform Abstract: Solvothermal Synthesis of Pyrochlore‐Type Cubic Tungsten Trioxide Hemihydrate and High Photocatalytic Activity.
Authors: Zheng Yi , Chen Gang , Yu Yaoguang , Wang Yu , Sun Jingxue , Xu Haiming , Zhou Yansong
Published: August 2014

Pyrochlore‐type cubic WO3·0.5H2O is prepared by solvothermal processing of an aqueous solution of Na2WO4, urea, and HCl in H2O/acetone (autoclave, 140 °C, 3 d).
ChemInform Abstract: Ag6Si2O7: A Silicate Photocatalyst for the Visible Region.
Authors: Lou Zaizhu , Huang Baibiao , Wang Zeyan , Ma Xiangchao , Zhang Rui , Zhang Xiaoyang , Qin Xiaoyan , Dai Ying , Whangbo Myung‐Hwan
Published: August 2014

The title compound is prepared by addition of an aqueous Na2SiO3 solution to an AgNO3 solution and characterized by powder XRD, XPS, UV/VIS diffuse reflectance spectroscopy, and DFT calculations.
ChemInform Abstract: Novel Chemical Synthesis and Characterization of CeTi2O6 Brannerite.
Authors: Kong Linggen , Gregg Daniel J. , Karatchevtseva Inna , Zhang Zhaoming , Blackford Mark G. , Middleburgh Simon C. , Lumpkin Gregory R. , Triani Gerry
Published: August 2014

The title compound is synthesized in aqueous medium from a mixture of titanium(IV) bis(ammonium lactato)dihydroxide and Ce(NO3)3 (sintering between 800 and 1400 °C).
ChemInform Abstract: [Th10(μ‐F16)(μ3‐O4) (μ4‐O4)(NH3)32] (NO3)8·19.6 NH3 — The Largest Thorium Complex from Solution Known to Date.
Authors: Woidy Patrick , Kraus Florian
Published: August 2014

The reaction of K2Th(NO3)6 and UF4 with liquid NH3 as a solvent (‐40 °C) results in planar colorless crystals of [Th10F16O8(NH3)32] (NO3)8·19.6 NH3 with O atoms derived from air moisture.
ChemInform Abstract: Assembly of Three Organic—Inorganic Hybrid Supramolecular Materials Based on Reduced Molybdenum(V) Phosphates.
Authors: Zhang He , Yu Kai , Lv Jing‐Hua , Wang Chun‐Mei , Wang Chun‐Xiao , Zhou Bai‐Bin
Published: August 2014

Three new supramolecular materials based on {P4Mo6} polyoxoanions are hydrothermally prepared and their structures are determined by single crystal XRD.
ChemInform Abstract: Synthesis and Characterization of Eight Compounds of the MU8Q17 Family: ScU8S17, CoU8S17, NiU8S17, TiU8Se17, VU8Se17, CrU8Se17, CoU8Se17, and NiU8Se17.
Authors: Ward Matthew D. , Mesbah Adel , Minasian Stefan G. , Shuh David K. , Tyliszczak Tolek , Lee Minseong , Choi Eun Sang , Lebegue Sebastien , Ibers James A.
Published: August 2014

Single crystals of the title compounds are synthesized by solid state reactions of the elements in an ACl flux (A: Cs, K, Rb) (Ar, silica tubes, 1073—1123 K, 96—168 h).
ChemInform Abstract: (2S,5R)‐2‐Methylaminomethyl‐1‐methyl‐5‐phenylpyrrolidine, a Chiral Diamine Ligand for Copper(II)‐Catalyzed Henry Reactions with Superb Enantiocontrol.
Authors: Scharnagel Dagmar , Prause Felix , Kaldun Johannes , Haase Robert G. , Breuning Matthias
Published: August 2014

Excellent yields and superb levels of enantiocontrol are achieved in Cu(II)‐catalyzed Henry reactions of aromatic, heteroaromatic, vinylic, and aliphatic aldehydes in the presence of a chiral pyrrolidine ligand derived from L‐pyroglutamate.
ChemInform Abstract: Palladium‐Catalyzed Allylic Alkylation Using Chiral P,O‐Ligands Synthesized via Sulfonamide Directed ortho‐Lithiation.
Authors: Petkova Zhanina , Stoyanova Malinka , Dimitrov Vladimir
Published: August 2014

Several ligands are synthesized and tested in this model reaction.
ChemInform Abstract: Organocatalytic [4 + 2] Cyclocondensation of α,β‐Unsaturated Acyl Chlorides with Imines: Highly Enantioselective Synthesis of Dihydropyridinone and Piperidine Derivatives.
Authors: Jia Wen‐Qiang , Chen Xiang‐Yu , Sun Li‐Hui , Ye Song
Published: August 2014

Quinidines (I) are successfully applied as chiral catalysts in the enantioselective [4 + 2] cyclocondensation of imines (II) and (VIII) with chlorides (III).
ChemInform Abstract: Redox‐Triggered C—C Coupling of Diols and Alkynes: Synthesis of β,γ‐Unsaturated α‐Hydroxyketones and Furans by Ruthenium‐Catalyzed Hydrohydroxyalkylation.
Authors: McInturff Emma L. , Nguyen Khoa D. , Krische Michael J.
Published: August 2014

The coupling of alkynes and vicinal diols proceeds with complete levels of regioselectivity and good to complete control over the alkene geometry to yield β,γ‐unsaturated ketones.
ChemInform Abstract: Syntheses of New Unsymmetrical 2,5‐Disubstituted‐1,3,4‐oxadiazoles and 1,2,4‐Triazolo[3,4‐b]‐1,3,4‐thiadiazoles Bearing Thieno[2,3‐c]pyrazolo Moiety.
Authors: Patil Shivaraj P. , Kanawade Shrikant B. , Bhavsar Dinesh C. , Nikam Prashant S. , Gangurde Sachin A. , Toche Raghunath B.
Published: August 2014

Thienopyrazolocarbohydrazide (I) is synthesized and applied to prepare a variety of oxadiazole, triazole and thiadiazole derivatives using nonhazardous chemicals and reagents.
ChemInform Abstract: Transition from π Radicals to σ Radicals: Substituent‐Tuned Cyclization of Hydrazonyl Radicals.
Authors: Duan Xiao‐Yong , Zhou Neng‐Neng , Fang Ran , Yang Xiu‐Long , Yu Wei , Han Bing
Published: August 2014

Hydrazonyl radicals, generally possessing π‐electronic structures, can be tuned to σ radicals by attaching a trifluoroacetyl or trichloroacetyl group to the N‐1 atom.
ChemInform Abstract: Highly Chemoselective Aerobic Oxidation of Amino Alcohols into Amino Carbonyl Compounds.
Authors: Sasano Yusuke , Nagasawa Shota , Yamazaki Mai , Shibuya Masatoshi , Park Jaiwook , Iwabuchi Yoshiharu
Published: August 2014

The alcohol‐selective oxidation of various unprotected amino alcohols, bearing a primary, secondary, or tertiary amino group is achieved in good to high yield in the presence of an azaadamantane N‐oxyl/copper catalyst.
ChemInform Abstract: The Direct C—H Halogenations of Indoles.
Authors: Shi Leilei , Zhang Dongmei , Lin Riyuan , Zhang Chun , Li Xun , Jiao Ning
Published: August 2014

Unprotected 2‐phenyl‐1H‐indole fails to react due to destruction by Selectfluor.
ChemInform Abstract: Facile One‐Pot Synthesis of N‐Alkylated Benzimidazole and Benzotriazole from Carbonyl Compounds.
Authors: Meng Xu , Li Xiaolong , Chen Wenlin , Zhang Yuanqing , Wang Wen , Chen Jinying , Song Jinli , Feng Huijie , Chen Baohua
Published: August 2014

An efficient and convenient protocol for the synthesis of N‐alkylated benzimidazoles and benzotriazoles using carbonyl compounds as alkylating agents is developed.
ChemInform Abstract: Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.
Authors: Hadlington Terrance J. , Hermann Markus , Frenking Gernot , Jones Cameron
Published: August 2014

The first examples for utilization of well‐defined, low‐valent p‐block metal hydrides, e.g. (I), in organic catalysis are presented.
ChemInform Abstract: The Beckmann Rearrangement Executed by Visible‐Light‐Driven Generation of Vilsmeier—Haack Reagent.
Authors: Srivastava Vishnu P. , Yadav Arvind K. , Yadav Lal Dhar S.
Published: August 2014

The Beckmann rearrangement occurs through activation of ketoximes by the Vilsmeier‐Haack reagent, which is in situ generated by an eosin Y catalyzed, visible‐light‐driven reaction of CBr4 and a catalytic amount of DMF.
ChemInform Abstract: Organocatalytic Asymmetric Biomimetic Transamination of α‐Keto Acetals to Chiral α‐Amino Acetals.
Authors: Pan Hongjie , Xie Ying , Liu Mao , Shi Yian
Published: August 2014

Quinidine derivatives catalyze the asymmetric reductive amination of α‐keto acetals with ortho‐hydroxybenzylamine as nitrogen donor.
ChemInform Abstract: Synthesis of Imines from Amines in Aliphatic Alcohols on Pd/ZrO2 Catalyst under Ambient Conditions.
Authors: Cui Wenjing , Zhaorigetu Bao , Jia Meilin , Ao Wulan , Zhu Huaiyong
Published: August 2014

The method allows the direct preparation of imines (III), (V), and (VII) from amines and aliphatic alcohols in a one‐pot procedure via the corresponding aldehydes.
ChemInform Abstract: Stereoselective Formation of (E)‐β‐Alkoxy Acrylates from Fischer Carbene Complexes and Chelated Amino Acid Ester Enolates.
Authors: Chaudhuri Rupsha , Kazmaier Uli
Published: August 2014

The reaction between chelated ester enolates and alkyl Fischer carbene complexes is characterized by a nucleophilic attack on the electrophilic carbene center.
ChemInform Abstract: 1‐(N‐Acylamino)alkyl Sulfones from N‐Acyl‐α‐amino Acids or N‐Alkylamides.
Authors: Adamek Jakub , Mazurkiewicz Roman , Pazdzierniok‐Holewa Agnieszka , Grymel Miroslawa , Kuznik Anna , Zielinska Katarzyna
Published: August 2014

The corresponding starting compounds are electrochemically prepared from N‐acyl‐amino acids or N‐alkylamides.
ChemInform Abstract: Tandem Halogenation/Michael‐Initiated Ring‐Closing Reaction of α,β‐Unsaturated Nitriles and Activated Methylene Compounds: One‐Pot Diastereoselective Synthesis of Functionalized Cyclopropanes.
Authors: Xin Xiaoqing , Zhang Qian , Liang Yongjiu , Zhang Rui , Dong Dewen
Published: August 2014

A series of pentasubstituted cyclopropanes (III) is prepared by a NBS‐mediated reaction of esters (I) with activated methylene compounds (II).
ChemInform Abstract: Stereospecific Ni‐Catalyzed Cross‐Coupling of Potassium Alkenyltrifluoroborates with Alkyl Halides.
Authors: Molander Gary A. , Argintaru O. Andreea
Published: August 2014

Optimized reaction conditions allow the alkenylation of alkyl halides with E‐ and Z‐alkenyltrifluoroborates as well as vinyltrifluoroborates.
ChemInform Abstract: Ruthenium‐Catalyzed Alkenylation of Azoxybenzenes with Alkenes Through ortho‐Selective C—H Activation.
Authors: Li Hongji , Xie Xiaoyu , Wang Lei
Published: August 2014

Simple azoxybenzenes undergo highly ortho‐selective coupling reactions with different activated olefins using readily available RuCl2(C5Me5) as catalyst.
ChemInform Abstract: Thermally Robust Au99(SPh)42 Nanoclusters for Chemoselective Hydrogenation of Nitrobenzaldehyde Derivatives in Water.
Authors: Li Gao , Zeng Chenjie , Jin Rongchao
Published: August 2014

The synthesis of thermally robust gold nanoclusters Au99(S‐Ph)42 is reported, whereas the formula is determined by electrospray ionization and matrix‐assisted laser desorption ionization mass spectrometry in conjunction with thermogravimetric analysis.
ChemInform Abstract: Wacker‐Type Oxidation and Dehydrogenation of Terminal Olefins Using Molecular Oxygen as the Sole Oxidant Without Adding Ligand.
Authors: Wang Yu‐Fei , Gao Ya‐Ru , Mao Shuai , Zhang Yan‐Lei , Guo Dong‐Dong , Yan Zhao‐Lei , Guo Shi‐Huan , Wang Yong‐Qiang
Published: August 2014

The reaction proceeds with complete Markovnikov selectivity with no detectable formation of aldehydes or polymeric products.
ChemInform Abstract: Chemo‐ and Regioselective C(sp3)—H Arylation of Unactivated Allylarenes by Deprotonative Cross‐Coupling.
Authors: Hussain Nusrah , Frensch Gustavo , Zhang Jiadi , Walsh Patrick J.
Published: August 2014

The reaction tolerates a wide range of aromatic and heteroaromatic bromides.
ChemInform Abstract: Copper(I)‐Catalyzed Homo‐Coupling of Terminal Alkynes at Room Temperature under Solvent and Base Free Conditions Using O2 as an Oxidant.
Authors: Cheng Guolin , Zhang Hong , Cui Xiuling
Published: August 2014

A practical, economical and green approach for the homo‐coupling of terminal alkynes under solvent and base free conditions is developed.
ChemInform Abstract: Synthesis of Naphthalene Derivatives from ortho‐Alkynylacetophenone Derivatives via Tandem in situ Incorporation of Acetal and Intramolecular Heteroalkyne Metathesis/Annulation.
Authors: Manojveer Seetharaman , Balamurugan Rengarajan
Published: August 2014

Substitution of the acetyl or carbonylbutyl group by a carbonylbenzyl group leads to complex reaction mixtures.
ChemInform Abstract: Hydrogen‐Bond‐Directed Formal [5 + 1] Annulations of Oxindoles with Ester‐Linked Bisenones: Facile Access to Chiral Spirooxindole δ‐Lactones.
Authors: Zhao Shuai , Lin Jun‐Bing , Zhao Yuan‐Yuan , Liang Yong‐Min , Xu Peng‐Fei
Published: August 2014

An asymmetric formal [5 + 1] cyclization of oxindoles and ester‐tagged bisenones is developed using a bifunctional thiourea catalyst.
ChemInform Abstract: Rhodium(II)‐Catalyzed Stereocontrolled Synthesis of Dihydrofuran‐3‐imines from 1‐Tosyl‐1,2,3‐triazoles.
Authors: Boyer Alistair
Published: August 2014

The syntheses of the triazoles are described.
ChemInform Abstract: I2‐Promoted Selective Oxidative Cross‐Coupling/Annulation of 2‐Naphthols with Methyl Ketones: A Strategy to Build Naphtho[2,1‐b]furan‐1(2H)‐ones with a Quaternary Center.
Authors: Gao Qinghe , Wu Xia , Liu Shan , Wu Anxin
Published: August 2014

8‐Iodo, 6‐cyano‐ and 6,8‐dimethoxynaphthalen‐2‐ol as well as 1‐naphthol and quinolin‐6‐ol fail to react to the expected products.
ChemInform Abstract: Palladium‐Catalyzed Direct Arylation of Indoles with Cyclohexanones.
Authors: Chen Shanping , Liao Yunfeng , Zhao Feng , Qi Hongrui , Liu Saiwen , Deng Guo‐Jun
Published: August 2014

The reaction proceeds regioselectively without formation of 2‐ or N‐arylated by‐products.
ChemInform Abstract: Remote Activation of the Nucleophilicity of Isatin.
Authors: Zari Sergei , Kudrjashova Marina , Pehk Tonis , Lopp Margus , Kanger Tonis
Published: August 2014

Michael addition of the isatin imine (I) to aliphatic 1,4‐ketoesters requires a much longer reaction time than the one to aromatic 1,4‐ketoesters.
ChemInform Abstract: Efficient Synthesis of Biscarbazoles by Palladium‐Catalyzed Twofold C—N Coupling and C—H Activation Reactions.
Authors: Hung Tran Quang , Thang Ngo Ngoc , Hoang Do Huy , Dang Tuan Thanh , Villinger Alexander , Langer Peter
Published: August 2014

Biscarbazoles (VIII) and (X) are prepared by a Buchwald—Hartwig amination of corresponding triflates with anilines followed by a palladium‐catalyzed oxidative cyclization.
ChemInform Abstract: Microwave‐Activated Synthesis of Thiazolo[5,4‐d]thiazoles by a Condensation/Oxidation Sequence.
Authors: Dessi Alessio , Calamante Massimo , Mordini Alessandro , Zani Lorenzo , Taddei Maurizio , Reginato Gianna
Published: August 2014

Thiazolo[5,4‐d]thiazoles (III) and (V) are prepared by microwave‐assisted condensation of aromatic as well as aliphatic aldehydes with dithiooxamide followed by oxidation with chloranil.
ChemInform Abstract: Palladium‐Catalyzed Oxidative C—H/C—H Cross‐Coupling of Benzothiazoles with Thiophenes and Thiazoles
Authors: Chen Xuxing , Huang Xiaojing , He Qian , Xie Yuyuan , Yang Chunhao
Published: August 2014

30 examples
ChemInform Abstract: DMAP Promoted Tandem Addition Reactions Forming Substituted Tetrahydroxanthones.
Authors: Castillo‐Contreras Emmanuel B. , Dake Gregory R.
Published: August 2014

The complicated mixtures obtained after conversion of (I) with DMAP require further transformation to the aryl esters for separation and identification of the products (III‐V).
ChemInform Abstract: Synthesis of Oxacyclic Scaffolds via Dual Ruthenium Hydride/Broensted Acid‐Catalyzed Isomerization/Cyclization of Allylic Ethers.
Authors: Ascic Erhad , Ohm Ragnhild G. , Petersen Rico , Hansen Mette R. , Hansen Casper L. , Madsen Daniel , Tanner David , Nielsen Thomas E.
Published: August 2014

A variety of tetrahydropyranoindoles and related scaffolds are synthesized from allylic ethers via an isomerization/oxocarbenium cyclization sequence.
ChemInform Abstract: Green Approach to the Design of Functionalized Medicinally Privileged 4‐Aryl‐1,4‐dihydropyrano[2,3‐c]‐pyrazole‐5‐carbonitrile Scaffold.
Authors: Ilovaisky Alexey I. , Medvedev Michael G. , Merkulova Valentina M. , Elinson Michail N. , Nikishin Gennady I.
Published: August 2014

Optimum reaction conditions are examined for the three‐component reaction of aromatic aldehydes, malononitrile and 3‐methyl‐2‐pyrazoline‐5‐one in aqueous solution.
ChemInform Abstract: Three‐Step Synthesis of Novel 2‐Aryl‐3‐benzamidobenzofurans: Regiospecific Reactions Catalyzed by Molybdate Sulfuric Acid.
Authors: Hashemi Fatemeh , Karami Bahador , Khodabakhshi Saeed
Published: August 2014

The molybdate sulfuric acid catalyzed reaction of 2‐arylglyoxals with benzamide and aromatic alcohols provides access to 2‐aryl‐3‐benzamidobenzofurans in high yield.
ChemInform Abstract: Microwave Assisted Base Dependent Regioselective Synthesis of Partially Reduced Chromenes, Isochromenes and Phenanthrenes.
Authors: Yadav Pratik , Singh Surjeet , Sahu Satya Narayan , Hussain Firasat , Pratap Ramendra
Published: August 2014

The microwave‐assisted reaction of chromenes (I) with ketones (II) in the presence of KOH as a base leads to isochromenes (III), whilst phenanthrenes (IV) are obtained using NaH as a base.
ChemInform Abstract: Silica Sulfuric Acid‐Catalyzed Five‐Component Efficient Synthesis of Five‐Substituted Tetrahydropyridines.
Authors: Zhang Xiao‐xiao , Wan Yu , Pang Li‐ling , Wang Hai‐ying , Zhao Ling‐ling , Wang Chao , Hang Shu Ying , Liu Gui Xiang , Chen Liang‐Feng , Wu Hui
Published: August 2014

41 Title compounds of type (IV) are prepared by this new highly atom‐economic one‐pot procedure.
ChemInform Abstract: Copper‐Catalyzed Tandem Oxidative Cyclization of Cinnamamides with Benzyl Hydrocarbons Through Cross‐Dehydrogenative Coupling.
Authors: Zhou Shi‐Liu , Guo Li‐Na , Wang Shun , Duan Xin‐Hua
Published: August 2014

The Cu‐catalyzed tandem oxidative cyclization of cinnamides (I) with benzyl hydrocarbons (II) through the direct cross‐dehydrogenative coupling of sp3 and sp2 bonds is described.
ChemInform Abstract: One‐Pot Synthesis of Highly Fluorescent Polycyclic Benzimidazole Derivatives.
Authors: Manna Susanta Kumar , Mondal Suresh Kumar , Ahmed Atiur , Mandal Arabinda , Jana Atanu , Ikbal Mohammed , Samanta Shubhankar , Ray Jayanta K.
Published: August 2014

Fluorescence properties of the formed benzimidazoles in different solvents and at different pH are investigated.
ChemInform Abstract: Deep Eutectic Solvent Promoted Efficient and Environmentally Benign Four‐Component Domino Protocol for Synthesis of Spirooxindoles.
Authors: Rajawat Anshu , Khandelwal Sarita , Kumar Mahendra
Published: August 2014

Cyclic diamides and diketones react with isatins, phthalic anhydride, and hydrazine hydrate in a deep eutectic solvent to produce spirooxindole derivatives.
ChemInform Abstract: One‐Pot Synthesis of (1,2,3‐Triazolyl)methyl 3,4‐Dihydro‐2‐oxo‐1H‐pyrimidine‐5‐carboxylates as Potentially Active Antimicrobial Agents.
Authors: Dabiri Minoo , Salehi Peyman , Bahramnejad Mahboubeh , Koohshari Majid , Aliahmadi Atousa
Published: August 2014

A simple and efficient one‐pot four‐component procedure for the synthesis of a variety of the title pyrimidine carboxylates (V) (14 examples) is developed.
ChemInform Abstract: Heterocyclization of Enediynes Promoted by Sodium Azide: A Case of Ambiguity of X‐Ray Data and Structure Revision.
Authors: Gulevskaya Anna V. , Tyaglivy Alexander S. , Pozharskii Alexander F. , Nelina‐Nemtseva Julia I. , Steglenko Dmitry V.
Published: August 2014

This publication constitutes the careful revision of a previous investigation revealing that [1,2,3]triazolo[1,5‐a]pyridines and not 1H‐benzotriazoles are obtained by the applied methodology.
ChemInform Abstract: A Convenient Synthesis and Biological Activity of Novel Pyrido[4,3‐d]pyrimidin‐4(3H)‐ones.
Authors: Ren Qingyun , Shi YanXia , Gu Yucheng , Li Baoju , He Hongwu
Published: August 2014

An efficient and convenient method for the synthesis of the title compounds (IV) (15 examples) via tandem aza‐Wittig and annulation reactions of iminophosphoranes (I), aryl isocyanates, and amines is developed.
ChemInform Abstract: A Convenient One‐Pot Three‐Component Approach for Regioselective Synthesis of Novel Substituted Pyrazolo[1,5‐a]pyrimidines Using Fe+3‐Montmorillonite as Efficient Catalyst.
Authors: Hossein nia Roghayeh , Mamaghani Manouchehr , Shirini Farhad , Tabatabaeian Khalil
Published: August 2014

using ultrasonic irradiation or conventional thermal conditions
ChemInform Abstract: Design, Synthesis and Biological Evaluation of Novel Spiro[indole‐pyridothiazine] Analogues as Antiproliferative Agents.
Authors: Arya Kapil , Tomar Pooja , Singh Jyoti
Published: August 2014

A small library of novel spiro[indole‐pyridothiazine] derivatives (IV) is synthesized via a three‐component reaction under ultrasound irradiation conditions.
ChemInform Abstract: Iodine‐Catalyzed Synthesis of Spiro[1,3,4‐benzotriazepine‐2,3′‐indole]‐2′,5(1H,1′H)‐diones under Mild Conditions.
Authors: Alizadeh Abdolali , Mokhtari Javad
Published: August 2014

An efficient and economical method for the synthesis of the title compounds (III) from 2‐aminobenzohydrazide (II) and isatins (I) is developed.
ChemInform Abstract: Palladium‐Catalyzed C—H Fluorosilylation of 2‐Phenylpyridines: Synthesis of Silafluorene Equivalents.
Authors: Xiao Qing , Meng Xiangtai , Kanai Motomu , Kuninobu Yoichiro
Published: August 2014

Regioselective C‐H fluorosilylation of 2‐phenylpyridines and related compounds affords silafluorene equivalents, which comprise a pentacoordinated silicon atom through an intramolecular Lewis acid‐base interaction between the fluorosilyl and pyridyl groups, due to the high Lewis acidity of the fluorinated silicon atom.
ChemInform Abstract: PdII‐Catalyzed Mild C—H ortho Arylation and Intramolecular Amination Oriented by a Phosphinamide Group.
Authors: Guan Jing , Wu Guo‐Jie , Han Fu‐She
Published: August 2014

A novel method using phosphinamides as directing groups for the direct ortho‐arylation with arylboronic acids to produce mixtures of mono‐ and diarylated products is presented.
ChemInform Abstract: New Bisabolane Sesquiterpenes from the Rhizomes of Curcuma xanthorrhiza Roxb. and Their Inhibitory Effects on UVB‐Induced MMP‐1 Expression in Human Keratinocytes.
Authors: Park Ji‐Hae , Jung Ye‐Jin , Antar Aziz Mohamed Mohamed , Hoon Lee Tae , Lee Chang‐Ho , Han Daeseok , Song Myung‐Chong , Kim Jiyoung , Baek Nam‐In
Published: August 2014

Two new bisabolane sesquiterpenes (I), and (II) are isolated along with five known ones from the rhizomes of Curcuma xanthorrhiza ROXB.
ChemInform Abstract: A New Lathyrane Diterpenoid from the Whole Plant of Euphorbia altotibetica.
Authors: Zhang Zhan‐Xin , Qi Feng‐Ming , Li Hui‐Hong , Dong Le‐Le , Hai Yang , Fan Gai‐Xia , Fei Dong‐Qing
Published: August 2014

The new lathyrane diterpenoid (I) shows moderate activity against the cancer cell line K562.
ChemInform Abstract: An Air‐ and Water‐Stable Iodonium Salt Promoter for Facile Thioglycoside Activation.
Authors: Chu An‐Hsiang Adam , Minciunescu Andrei , Montanari Vittorio , Kumar Krishna , Bennett Clay S.
Published: August 2014

It is demonstrated that 2,2,2‐trifluoroethyl substituted iodonium salt promotes glycosylations at room temperature with both armed and disarmed thioglycosides as well as sensitive deoxy‐sugar donors.
ChemInform Abstract: Stereoselective Synthesis of the CDE Ring System of Antitumor Saponin Scillascilloside E‐1.
Authors: Akahori Yoshihiro , Yamakoshi Hiroyuki , Hashimoto Shunichi , Nakamura Seiichi
Published: August 2014

The tricyclic ring portion (I) of the eucosterol oligoglycoside scillascilloside E‐1 is synthesized via an Ireland—Claisen rearrangement and an intramolecular nitrile oxide cycloaddition.
ChemInform Abstract: Catalytic Enantioselective and Divergent Total Synthesis of (+)‐10‐Oxocylindrocarpidine, (+)‐Cylindrocarpidine, (‐)‐N‐Acetylcylindrocarpinol, and (+)‐Aspidospermine.
Authors: Shen Xiao‐Lei , Zhao Rui‐Rui , Mo Ming‐Jie , Peng Fang‐Zhi , Zhang Hong‐Bin , Shao Zhi‐Hui
Published: August 2014

All target compounds are synthesized in 11 steps starting with a common precursor.
ChemInform Abstract: Total Synthesis of 8,14‐Dihydromorphinandienone Alkaloids.
Authors: Ghavimi Bahman , Magnus Philip
Published: August 2014

The presented strategy offers access to the racemic mixture (Ia) of isosinomenine and norisosinomenine as well as the racemic mixture (Ib) of 8,14‐dihydrosalutaridine and 8,14‐dihydronorsalutaridine.
ChemInform Abstract: Enzyme‐Promoted Regioselective Coupling Oligomerization of Isorhapontigenin Towards the First Synthesis of (.+‐.)‐Gnetulin.
Authors: Li Wenling , Yang Shixia , Lv Teng , Yang Yadong
Published: August 2014

The preparation of (.+‐.)‐gnetulin (I) and an unnatural analogue (II) of (.+‐.)‐gnemonol M is reported.
ChemInform Abstract: 3‐Oxyanthranilic Acid Derivatives from Actinomadura sp. BCC27169.
Authors: Intaraudom Chakapong , Dramae Aibrohim , Supothina Sumalee , Komwijit Somjit , Pittayakhajonwut Pattama
Published: August 2014

Compounds (IIa) and (IVb) exhibit antitubercular activity, (IIa) also shows cytotoxicity against KB cells.
ChemInform Abstract: Omaezallene from Red Alga Laurencia sp.: Structure Elucidation, Total Synthesis, and Antifouling Activity.
Authors: Matsuda Fuyuhiko , et al. et al.
Published: August 2014

Omaezallene (Ia), (12Z)‐omaezallene (Ib), and dihydroomaezallene (Ic) are isolated from red alga Laurencia sp.
ChemInform Abstract: Mossbauer Studies of the Peculiar Magnetism in Parent Compounds of the Iron‐Based Superconductors
Authors: Jasek A. K. , Komedera K. , Blachowski A. , Ruebenbauer K. , Zukrowski J. , Bukowski Z. , Karpinski J.
Published: August 2014

Review: 23 refs.
ChemInform Abstract: Basic Concepts in Crystal Growth
Authors: Rubbo Marco
Published: August 2014

Review: 31 refs.
ChemInform Abstract: Storylines in Intercalation Chemistry
Authors: Lerf A.
Published: August 2014

Review: 148 refs.
ChemInform Abstract: Nanocrystalline Soft Magnetic Alloys Two Decades of Progress
Authors: Willard Matthew A. , Daniil Maria
Published: August 2014

Review: 535 refs.
ChemInform Abstract: Magnetic Heusler Compounds
Authors: Graf Tanja , Winterlik Juergen , Muechler Lukas , Fecher Gerhard H. , Felser Claudia , Parkin Stuart S. P.
Published: August 2014

Review: 349 refs.
ChemInform Abstract: Critical Thermodynamic Evaluation and Optimization of the Co—Nd, Cu—Nd and Nd—Ni Systems
Authors: Hussain Azeem , Van Ende Marie‐Aline , Kim Junghwan , Jung In‐Ho
Published: August 2014

Review: 71 refs.
ChemInform Abstract: Dirac Materials
Authors: Wehling T. O. , Black‐Schaffer A. M. , Balatsky A. V.
Published: August 2014

Review: 419 refs.
ChemInform Abstract: Cyclopentadienyl Ruthenium Complexes with Naphthalene and Other Polycyclic Aromatic Ligands
Authors: Perekalin Dmitry S. , Kudinov Alexander R.
Published: August 2014

Review: synthesis, reactivity and applications; 137 refs.
ChemInform Abstract: Characterization of MOFs. Part 2. Long and Local Range Order Structural Determination of MOFs by Combining EXAFS and Diffraction Techniques
Authors: Borfecchia Elisa , Gianolio Diego , Agostini Giovanni , Bordiga Silvia , Lamberti Carlo
Published: August 2014

Review: 229 refs.
ChemInform Abstract: Recent Advances in the Synthesis of Pyrroles by Multicomponent Reactions
Authors: Estevez Veronica , Villacampa Mercedes , Menendez J. Carlos
Published: August 2014

Review: [102 refs.
ChemInform Abstract: Progress in the Synthesis and Exploitation of Catenanes Since the Millennium
Authors: Evans Nicholas H. , Beer Paul D.
Published: August 2014

Review: 131 refs.
ChemInform Abstract: Applications of Bartoli Indole Synthesis
Authors: Bartoli Giuseppe , Dalpozzo Renato , Nardi Monica
Published: August 2014

Review: 154 refs.
ChemInform Abstract: Non‐Precious Metal Catalysts for C—H Borylation Enabled by Metal—Metal Cooperativity
Authors: Mankad Neal P.
Published: August 2014

Review: [35 refs.
ChemInform Abstract: Recent Advances in Palladium‐Catalyzed C(sp3)—H Activation for the Formation of Carbon—Carbon and Carbon—Heteroatom Bonds
Authors: Dastbaravardeh Navid , Christakakou Maria , Haider Maximilian , Schnuerch Michael
Published: August 2014

Review: [78 refs.
ChemInform Abstract: Silver‐Mediated Perfluoroalkylation Reactions
Authors: Hafner Andreas , Jung Nicole , Braese Stefan
Published: August 2014

Review: [32 refs.
ChemInform Abstract: Strategies for the Synthesis of α‐ and β‐Amino Vinylphosphonate
Authors: Adler Pauline , Fadel Antoine , Rabasso Nicolas
Published: August 2014

Review: 152 refs.
ChemInform Abstract: Trifluoromethylated Internal Alkynes: Versatile Building Blocks for the Preparation of Various Fluorine‐Containing Molecules
Authors: Konno Tsutomu
Published: August 2014

Review: [42 refs.
ChemInform Abstract: Catalytic Hydrogenation of Low‐Reactivity Carbonyl Groups Using Bifunctional Chiral Tridentate Ligands
Authors: Clarke Matthew L.
Published: August 2014

Review: [40 refs.
ChemInform Abstract: Catalytic Enantioselective Desymmetrizations of Prochiral Dienone Systems
Authors: Maertens Gaetan , Menard Marc‐Andre , Canesi Sylvain
Published: August 2014

Review: [35 refs.
ChemInform Abstract: Quinap and Congeners: Atropos PN Ligands for Asymmetric Catalysis
Authors: Fernandez Elena , Guiry Patrick J. , Connole Kieran P. T. , Brown John M.
Published: August 2014

Review: 75 refs.
ChemInform Abstract: Magnetically Recoverable Nanoparticles as Efficient Catalysts for Organic Transformations in Aqueous Medium
Authors: Cheng Tanyu , Zhang Dacheng , Li Hexing , Liu Guohua
Published: August 2014

Review: 228 refs.
ChemInform Abstract: Frustrated Lewis Pair Chemistry of Carbon, Nitrogen and Sulfur Oxides
Authors: Stephan Douglas W. , Erker Gerhard
Published: August 2014

Review: 99 refs.
ChemInform Abstract: Selective Nitration of Phenolic Compounds by Green Synthetic Approaches
Authors: Vekariya Rajesh H. , Patel Hitesh D.
Published: August 2014

Review: 135 refs.
ChemInform Abstract: Antiferromagnetism in Iron‐Based Superconductors: Selection of Magnetic Order and Quasiparticle Interference
Authors: Eremin Ilya , Knolle Johannes , Fernandes Rafael M. , Schmalian Joerg , Chubukov Andrey V.
Published: August 2014

Review: 64 refs.
ChemInform Abstract: Ordered Phases and Quantum Criticality in Cubic Heavy Fermion Compounds
Authors: Paschen Silke , Larrea J. Julio
Published: August 2014

Review: 102 refs.
ChemInform Abstract: Flavonoids from Achyrocline satureioides: Promising Biomolecules for Anticancer Therapy
Authors: Carini Juliana Poglia , Klamt Fabio , Bassani Valquiria Linck
Published: August 2014

Review: 178 refs.
ChemInform Abstract: Anticancer Palladium Complexes: A Focus on PdX2L2, Palladacycles and Related Complexes
Authors: Kapdi Anant R. , Fairlamb Ian J. S.
Published: August 2014

Review: [226 refs.
ChemInform Abstract: Role of AMP‐Activated Protein Kinase in Cancer Therapy
Authors: Rehman Gauhar , Shehzad Adeeb , Khan Abdul Latif , Hamayun Muhammad
Published: August 2014

Review: 133 refs.
ChemInform Abstract: Single‐Molecule Spectroscopy of Photosynthetic Proteins in Solution: Exploration of Structure—Function Relationships
Authors: Schlau‐Cohen Gabriela S. , Bockenhauer Samuel , Wang Quan , Moerner W. E.
Published: August 2014

Review: 43 refs.
ChemInform Abstract: Magnetic Properties of Quasicrystals and Their Approximants
Authors: Stadnik Zbigniew M.
Published: August 2014

Review: 146 refs.
ChemInform Abstract: Research Progress of Hydrate‐Based CO2 Separation and Capture from Gas Mixtures
Authors: Xu Chun‐Gang , Li Xiao‐Sen
Published: August 2014

Review: 226 refs.
ChemInform Abstract: Flow Approaches Towards Sustainability
Authors: Vaccaro Luigi , Lanari Daniela , Marrocchi Assunta , Strappaveccia Giacomo
Published: August 2014

Review: [115 refs.
ChemInform Abstract: Modern Charge Density Studies: The Entanglement of Experiment and Theory
Authors: Macchi Piero
Published: August 2014

Review: 171 refs.
ChemInform Abstract: Concepts in Theoretical Heterogeneous Ultrananocatalysis
Authors: Negreiros Fabio R. , Barcaro Giovanni , Sementa Luca , Fortunelli Alessandro
Published: August 2014

Review: 76 refs.
ChemInform Abstract: Bioinorganic Modeling Chemistry of Carbon Monoxide Dehydrogenases: Description of Model Complexes, Current Status and Possible Future Scopes
Authors: Majumdar Amit
Published: August 2014

Review: 103 refs.
ChemInform Abstract: Chemiluminescent Methods for Studying Inhibited Oxidation
Authors: Rusina I. F. , Karpukhin O. N. , Kasaikina O. T.
Published: August 2014

Review: 76 refs.
Development and experimental validation of a computational model for the analysis of transient events in a natural gas distribution network
Authors: de Almeida Julio Cézar , Antonio Velásquez José , Barbieri Renato
Published: August 2014

This work presents a computational model developed for studying flow behaviour when a transient event, such as a leakage, occurs in a natural gas distribution network. This model is based on the method of characteristics, which was applied to solve the equations that describe a one‐dimensional, unsteady, compressible flow that is subjected to heat transfer and friction between the fluid and the pipe walls. In order to validate the computational model, data obtained via simulation were compared with values measured in an experimental setup 140 m in length, which was built using carbon‐steel ducts of two inches nominal diameter. Experiments simulating a leakage due to a rupture in a pipework were performed using both compressed air and natural gas. The comparison showed good agreement between simulated and measured values, thus encouraging the utilization of the computational model for field monitoring and geographical location of leakage points along a natural gas network.
In Vitro Antiamoebic Activity Evaluation and Docking Studies of Metronidazole–Triazole Hybrids
Authors: Negi Beena , Raj K. Kranthi , Siddiqui Shadab Miyan , Ramachandran Dittakavi , Azam Amir , Rawat Diwan S.
Published: August 2014

An in‐house database of 520 compounds was docked against Entamoeba histolytica thioredoxin reductase (EhTrR), a promising target for the treatment of amoebiasis. Amongst these, some metronidazole (MTZ)–triazole hybrids were ranked high, with docking scores from −10.23 to −7.56. Studies of the binding orientations and conformations show that the head groups of MTZ–triazole hybrids interact with the arginine residues within the binding pocket of EhTrR, making it clear that such is the optimal and most reliable orientation for this class of compounds. The top‐ten MTZ–triazole hybrids were then selected for evaluation of their activity against the HM1:IMSS strain of amoeba. The most active compound, 2‐pyridyl‐(1,2,3‐triazolyl)metronidazole 10, with an IC50 value of 8.4 nM, was significantly more active than the standard drug MTZ alone. Docking studies revealed that compound 10 may act as an EhTrR inhibitor with activity in the nanomolar range and satisfactory ADME properties; it is a suitable candidate to be carried forward as a potential lead in the discovery of drugs to combat amoebiasis.
Determination of Solubility Parameters of Ionic Liquids and Ionic Liquid/Solvent Mixtures from Intrinsic Viscosity
Authors: Weerachanchai Piyarat , Wong Yuewen , Lim Kok Hwa , Tan Timothy Thatt Yang , Lee Jong‐Min
Published: August 2014

The total and partial solubility parameters (dispersion, polar and hydrogen‐bonding solubility parameters) of ten ionic liquids were determined. Intrinsic viscosity approaches were used that encompassed a one‐dimensional method (1D‐Method), and two different three‐dimensional methods (3D‐Method1 and 3D‐Method2). The effect of solvent type, the dimethylacetamide (DMA) fraction in the ionic liquid, and dissolution temperature on solubility parameters were also investigated. For all types of effect, both the 1D‐Method and 3D‐Method2 present the same trend in the total solubility parameter. The partial solubility parameters are influenced by the cation and anion of the ionic liquid. Considering the effect on partial solubility parameters of the solvent type in the ionic liquid, it was observed that in both 3D methods, the dispersion and polar parameters of a 1‐ethyl‐3‐methylimidazolium acetate/solvent (60:40 vol %) mixture tend to increase as the total solubility parameter of the solvent increases.
Well‐Aligned Quaternary Cu2CoSnS4 Single‐Crystalline Nanowires as a Potential Low‐Cost Solar Cell Material
Authors: Shi Liang , Li Yanan , Zhu Haojun , Li Quan
Published: August 2014

Quaternary semiconductor Cu2CoSnS4 single‐crystalline nanowires arrays have been prepared through a solvothermal synthetic route by using anodic aluminum oxide as a hard template. The as‐prepared Cu2CoSnS4 nanowires are uniform with a [112] growth direction. An optimal solvent of diethylenetriamine is critical for the formation of single‐crystalline Cu2CoSnS4 nanowires. The structure, morphology, composition, and optical absorption properties of the as‐prepared Cu2CoSnS4 nanowires were characterized by using X‐ray powder diffraction, scanning electron microscopy, transmission electron microscopy, energy‐dispersive X‐ray spectroscopy, and UV/Vis spectroscopy. A thin film prepared from Cu2CoSnS4 single‐crystalline nanowires displayed a clear photoelectric response, which suggested its potential application in photovoltaic devices.