bluuebunny/crossref_metadata_2025 huggingface dataset:
Red‐Shifted Fluorescent Aminated Derivatives of a Conformationally Locked GFP Chromophore
Authors: Baranov Mikhail S. , Solntsev Kyril M. , Baleeva Nadezhda S. , Mishin Alexander S. , Lukyanov Sergey A. , Lukyanov Konstantin A. , Yampolsky Ilia V.
Published: August 2014

A novel class of fluorescent dyes based on conformationally locked GFP chromophore is reported. These dyes are characterized by red‐shifted spectra, high fluorescence quantum yields and pH‐independence in physiological pH range. The intra‐ and intermolecular mechanisms of radiationless deactivation of ABDI‐BF2 fluorophore by selective structural locking of various conformational degrees of freedom were studied. A unique combination of solvatochromic and lipophilic properties together with “infinite” photostability (due to a dynamic exchange between free and bound dye) makes some of the novel dyes promising bioinspired tools for labeling cellular membranes, lipid drops and other organelles.
ChemInform Abstract: New Be‐Intercalated Hexagonal Boron Layer Structure of BeB2.
Authors: Nguyen Manh Cuong , Zhao Xin , Wang Cai‐Zhuang , Ho Kai‐Ming
Published: August 2014

A new family of BeB2 structures, where the B atoms form hexagonal layers intercalated by Be atoms is predicted using a generic algorithm method and first‐principle DFT calculations.
ChemInform Abstract: LiSbS2‐mC16: Structure Determination from X‐Ray Powder Diffraction Data.
Authors: Huber Sebastian , Pfitzner Arno
Published: August 2014

Monoclinic LiSbS2 is prepared by reaction of Li2S, Sb, and excess S as reactive flux (graphite crucible in evacuated silica ampoule, 900 °C, 3 weeks).
ChemInform Abstract: Facile Microwave‐Assisted Synthesis and Effective Photocatalytic Hydrogen Generation of Zn2GeO4 with Different Morphology.
Authors: Yang Min , Ji Ying , Liu Wei , Wang Ying , Liu Xiaoyang
Published: August 2014

Nanoparticles of the title compound are hydrothermally synthesized using microwave irradiation.
ChemInform Abstract: Ionothermal Synthesis, Crystal Structure, and Chemical Bonding of the Niobium(IV) Complex Nb2(Se2)2(AlCl4)4.
Authors: Mueller Ulrike , Isaeva Anna , Ruck Michael
Published: August 2014

The reaction of Se and NbCl5 with As as reducing agent in the Lewis‐acidic ionic liquid [bmim]Cl·4.8AlCl3 (evacuated silica ampoule, 100 °C, 4 d) yields dark‐red block‐shaped crystals of Nb2Se4(AlCl4)4, which immediately decompose when exposed to humid air.
ChemInform Abstract: Systematic Assembly of {LnMnIII4} Appended Cubanes with Inorganic Polyoxometalate Ligands and Their Electrocatalytic Property.
Authors: Chen Yi‐Zhen , Liu Zhu‐Jun , Zhang Zhi‐Ming , Zhou Huan‐Yu , Zheng Xiao‐Tao , Wang En‐Bo
Published: August 2014

The new compounds (VI) and (VIII) are characterized by single crystal XRD, IR and UV spectroscopy, and electrocatalytic investigations.
ChemInform Abstract: A New Solvothermal Route to Crystalline Proustite Ag3AsS3 with Photocatalytic Properties.
Authors: Zhao Rongqing , Zhou Jian , Liu Xing , Li Rong , Tang Qiuling
Published: August 2014

Red block crystals of the title compound are solvothermally synthesized from As2O3, AgNO3, and sulfur in diaminopropane (thick Pyrex tube, 160 °C, 3 d, 73% yield).
ChemInform Abstract: Stereodivergent α‐Allylation of Linear Aldehydes with Dual Iridium and Amine Catalysis.
Authors: Krautwald Simon , Schafroth Michael A. , Sarlah David , Carreira Erick M.
Published: August 2014

The synthetic value of this protocol is demonstrated by enantioselective preparation of the antidepressant paroxetine (XII).
ChemInform Abstract: Highly Versatile Pd—Thioether—Phosphite Catalytic Systems for Asymmetric Allylic Alkylation, Amination, and Etherification Reactions.
Authors: Coll Merce , Pamies Oscar , Dieguez Montserrat
Published: August 2014

A series of furanoside thioether‐phosphite ligands is synthesized and their Pd‐complexes are used as efficient catalyst for the asymmetric allylic substitution of a variety of cyclic and noncyclic allylic acetates and carbonates with C‐, N‐, and O‐nucleophiles.
ChemInform Abstract: On Regioselectivity of Aldol Condensation of Aromatic Aldehydes with Borate Complex of Acetylacetone.
Authors: Martichonok Val V. , Chiang Peter K. , Dornbush Padraick J. , Land Kirkwood M.
Published: August 2014

Products (V) and (VII) are good inhibitors of growth of protozoan Trichomonas vaginalis.
ChemInform Abstract: Oxidations of Alkenes with Hypervalent Iodine Reagents: An Alternative Ozonolysis of Phenyl Substituted Alkenes and Allylic Oxidation of Unsubstituted Cyclic Alkenes.
Authors: Atmaca Ufuk , Usanmaz Hande K. , Celik Murat
Published: August 2014

All presented reactions are performed with iodosylbenzene as well as iodylbenzene with the latter giving slightly higher yields of the desired products.
ChemInform Abstract: The α‐Chlorination of Aryl Methyl Ketones under Aerobic Oxidative Conditions.
Authors: Prebil Rok , Stavber Stojan
Published: August 2014

A novel reaction system consisting of hydrochloric acid and air oxygen in the presence of catalytic amounts of ammonium nitrate and iodine allows the regioselective α‐chlorination of α‐methyl ketones.
ChemInform Abstract: Formal Aminocyanation of α,β‐Unsaturated Cyclic Enones for the Efficient Synthesis of α‐Amino Ketones.
Authors: Sun Chunrui , O'Connor Matthew J. , Lee Daesung , Wink Donald J. , Milligan Robert D.
Published: August 2014

A formal dipolar cycloaddition of α,β‐unsaturated cyclic ketones with lithium trimethylsilyldiazomethane generates a structurally diverse array of pyrazolines.
ChemInform Abstract: Practical Metal‐Free C(sp3)—H Functionalization: Construction of Structurally Diverse α‐Substituted N‐Benzyl and N‐Allyl Carbamates.
Authors: Xie Zhiyu , Liu Lei , Chen Wenfang , Zheng Hongbo , Xu Qingqing , Yuan Huiqing , Lou Hongxiang
Published: August 2014

This is a practical and universal method for the C—H functionalization of N‐benzyl and N‐allyl carbamates which is suitable for a wide range of nucleophiles.
ChemInform Abstract: Iron‐Catalyzed Arene Alkylation Reactions with Unactivated Secondary Alcohols.
Authors: Jefferies Latisha R. , Cook Silas P.
Published: August 2014

This methodology facilitates the synthesis of phenacyl butenoic acid (IV) which exhibit antiproliferative activities.
ChemInform Abstract: Asymmetric Opening of Styrene Oxide with p‐Toluidine Catalyzed by BINOL Polyols and Their Lithium Complexes.
Authors: Belokon' Yu. N. , Maleev V. I. , Moskalenko M. A. , Samoilichenko Yu. V. , Peregudov A. S. , Tsaloev A. T.
Published: August 2014

The title reaction proceeds with low enantioselectivities.
ChemInform Abstract: Bi(OTf)3‐Catalyzed Three‐Component Synthesis of α‐Amino Acid Derivatives.
Authors: Schneider Angelika E. , Beisel Tamara , Shemet Andrej , Manolikakes Georg
Published: August 2014

A series of α‐amino acid esters is prepared by a Bi‐catalyzed three‐component reaction of carboxylic amides, carbamates or sulfonyl amides with ethyl glyoxalate and arenes.
ChemInform Abstract: Asymmetric Synthesis of α‐Allyl‐α‐aryl α‐Amino Acids by Tandem Alkylation/π‐Allylation of α‐Iminoesters.
Authors: Curto John M. , Dickstein Joshua S. , Berritt Simon , Kozlowski Marisa C.
Published: August 2014

The first asymmetric tandem N‐alkylation/π‐allylation of α‐iminoesters (I) is described to allow the synthesis of enantioenriched quaternary α‐amino acid derivatives (IV) and (VI).
ChemInform Abstract: Ruthenium on Chitosan: A Recyclable Heterogeneous Catalyst for Aqueous Hydration of Nitriles to Amides.
Authors: Baig R. B. Nasir , Nadagouda Mallikarjuna N. , Varma Rajender S.
Published: August 2014

The applied catalyst can be recovered by simple decantation or centrifugation and reused without loss of its activity.
ChemInform Abstract: Efficient Synthesis of Functionalized 6‐Substituted‐Thiosalicylates via Microwave‐Promoted Suzuki Cross‐Coupling Reaction.
Authors: Liu Yu‐Chao , Qu Ren‐Yu , Chen Qiong , Wu Qiong‐You , Yang Guang‐Fu
Published: August 2014

The improved microwave assisted Suzuki cross‐coupling of aryl iodides (I) with boronic acids followed by deprotection produces various thiosalicylates.
ChemInform Abstract: Carbonylative Suzuki Couplings of Aryl Bromides with Boronic Acid Derivatives under Base‐Free Conditions.
Authors: Bjerglund Klaus M. , Skrydstrup Troels , Molander Gary A.
Published: August 2014

Two methods are developed for the synthesis of unsymmetrical bisaryl ketones via carbonylative Suzuki coupling.
ChemInform Abstract: Oxidative Cross‐Coupling of Allenyl Ketones and Organoboronic Acids: Expeditious Synthesis of Highly Substituted Furans.
Authors: Xia Ying , Xia Yamu , Ge Rui , Liu Zhen , Xiao Qing , Zhang Yan , Wang Jianbo
Published: August 2014

This method has good functional group tolerance and provides a novel alternative for the efficient synthesis of highly substituted furan derivatives.
ChemInform Abstract: Synthesis of Heterocyclic Triads by Pd‐Catalyzed Cross‐Couplings and Evaluation of Their Cell‐Specific Toxicity Profile.
Authors: Salamoun Joseph , Anderson Shelby , Burnett James C. , Gussio Rick , Wipf Peter
Published: August 2014

Heterocycles (VIIa), (VIIb), and (X) inhibit significantly renal and breast cancer cell lines.
ChemInform Abstract: Sequential One‐Pot Three Component Rhodium‐Catalyzed Isomerization/1,3‐Dipolar Cycloaddition Cascades to Fused‐Ring Heterocycles.
Authors: Windle Jonathan , Allison Matthew , Shepherd Helena , Sridharan Visuvanathar
Published: August 2014

In the course of the title reaction, three new bonds and four stereo centers are formed in good yields.
ChemInform Abstract: Highly Asymmetric Bromocyclization of Tryptophol: Unexpected Accelerating Effect of DABCO‐Derived Bromine Complex.
Authors: Liu Huan , Jiang Guangde , Pan Xixian , Wan Xiaolong , Lai Yisheng , Ma Dawei , Xie Weiqing
Published: August 2014

Bromocyclization of tryptophol derivatives is achieved in the presence of chiral BINOL‐derived phosphoric acid catalyst and DABCO derived brominating agents to produce 3‐bromofluoroindolines in high yields and excellent enantioselectivities.
ChemInform Abstract: Direct C—H Bond Arylation of (Benzo)oxazoles with Aryl Chlorides Catalyzed by N‐Heterocyclic Carbene—Palladium(II)—1‐Methylimidazole Complex.
Authors: Shen Xiao‐Bao , Zhang Yun , Chen Wen‐Xin , Xiao Zheng‐Kang , Hu Ting‐Ting , Shao Li‐Xiong
Published: August 2014

For the first time, the direct and phosphine free arylation of the title compounds by using the readily available NHC catalyst is reported.
ChemInform Abstract: An Environmentally Benign Synthesis of Isoxazolines and Isoxazoles Mediated by Potassium Chloride in Water.
Authors: Han Liuquan , Zhang Bijun , Zhu Min , Yan Jie
Published: August 2014

1,3‐Dipolar cycloaddition of nitrile oxides, generated in situ by treatment of aldoximes with KCl and oxone in water, with alkenes or alkynes yields isoxazolines and isoxazoles, respectively.
ChemInform Abstract: Palladium‐Catalyzed C‐2 Selective Olefination of Thiazoles.
Authors: Liu Wei , Yu Xin , Kuang Chunxiang
Published: August 2014

The simple and novel method for Pd(OAc)2‐catalyzed highly C2 selective oxidative olefination of thiazole derivatives is described.
ChemInform Abstract: Synthesis and Reactions of Novel 2,5‐Disubstituted 1,3,4‐Thiadiazoles.
Authors: Mahmoud Mahmoud R. , Shiba Sayed A. , El‐Ziaty Ahmed K. , Abu El‐Azm Fatma S. M. , Ismail Mahmoud F.
Published: August 2014

Novel 2,5‐disubstituted thiadiazoles bearing different substituents are obtained by cyclization of thiosemicarbazide (IV) followed by reaction with electrophilic reagents, such as aromatic aldehydes, isatin, phenyl isothiocyanate, and carbon disulfide.
ChemInform Abstract: Synthesis and Redox Behavior of 1,2‐Dihydro‐1‐oxabenz[a]azulen‐2‐ones.
Authors: Ito Shunji , Yamazaki Shohei , Kudo Shun , Sekiguchi Ryuta , Kawakami Jun , Takahashi Masayuki , Matsuhashi Takashi , Toyota Kozo , Morita Noboru
Published: August 2014

AlCl3‐mediated reaction of 2‐hydroxyazulenes with β‐ketoesters provides the title species in low to moderate yields.
ChemInform Abstract: An Eco‐Compatible Multicomponent Strategy for the Synthesis of New 2‐Amino‐6‐(1H‐indol‐3‐yl)‐4‐arylpyridine‐3,5‐dicarbonitriles in Aqueous Micellar Medium Promoted by Thiamine‐Hydrochloride.
Authors: Fatma Shahin , Singh Divya , Ankit Preyas , Mishra Priya , Singh Mandavi , Singh Jagdamba
Published: August 2014

The catalyst is reused in two successive runs without significant loss of activity.
ChemInform Abstract: Nickel‐Catalyzed Chelation‐Assisted Direct Arylation of Unactivated C(sp3)—H Bonds with Aryl Halides.
Authors: Li Mingliang , Dong Jiaxing , Huang Xiaolei , Li Kaizhi , Wu Qian , Song Feijie , You Jingsong
Published: August 2014

The nickel‐catalyzed monoarylation of amides (I) with corresponding aryl iodides (II) and (IV) gives rise to desired β‐arylated derivatives (III) and (V), resp., as single products.
ChemInform Abstract: Synthesis of Fused Tetrahydropyrido[2,3‐c]coumarin Derivatives as Potential Inhibitors for Dopamine d3 Receptors, Catalyzed by Hydrated Ferric Sulfate.
Authors: Das Deb K. , Sarkar Satavisha , Khan Abu T. , Saravanan Parameswaran , Patra Sanjukta
Published: August 2014

Title compounds (IV) and (VI) are synthesized using an one‐pot three‐component coupling between 3‐aminocoumarins (I), aromatic aldehydes (III) and cyclic enol ethers (II) or (V).
ChemInform Abstract: One‐Pot, Three‐Component Synthesis of Highly Functionalized Pyrimidone Derivatives and Access to Indole Fused Pyrimidones via Palladium‐Catalyzed Intramolecular Heck Reaction.
Authors: Lei Ming , Tian Wan , Li Wei , Lu Ping , Wang Yanguang
Published: August 2014

A facile method for the synthesis of highly functionalized pyrimidone derivatives via three‐component 1,4‐dipolar cycloaddition is developed.
ChemInform Abstract: Catalyst‐Free Synthesis of Alkyl 4‐Oxo‐4H‐pyrido[1,2‐a]pyrimidine‐2‐carboxylate Derivatives on Water.
Authors: Yan Hao , Ma Ying , Sun Yuanjun , Ma Chao , Wang Yuling , Ren Xiaoyu , Huang Guosheng
Published: August 2014

An environmentally friendly and mild protocol allows the synthesis of the title species from 2‐aminopyridines and dialkyl acetylene dicarboxylate in water as the solvent.
ChemInform Abstract: Copper‐Catalyzed N‐Arylation and Aerobic Oxidation: One‐Pot Synthesis of Tetrahydroisoquinolino[2,1‐a]quinazolinone Derivatives.
Authors: Tian Hua , Qiao Hongwei , Zhu Changjin , Fu Hua
Published: August 2014

The newly synthesized products (III) provide diverse structures for screening of biological activity.
ChemInform Abstract: Synthesis of Diverse Azolo[c]quinazolines by Palladium(II)‐Catalyzed Aerobic Oxidative Insertion of Isocyanides.
Authors: Vlaar Tjoestil , Bensch Lisa , Kraakman Jasper , Vande Velde Christophe M. L. , Maes Bert U. W. , Orru Romano V. A. , Ruijter Eelco
Published: August 2014

The oxidative coupling of isocyanides with (2‐aminophenyl)oxazoles using air as the oxidant provides azolo[c]quinazolines (III) and (V) with high selectivity.
ChemInform Abstract: Convenient Access to Novel Functionalized Pyrazino[1,2‐b]isoquinolin‐6‐one and Diazepino[1,2‐b]isoquinolin‐7‐one Scaffolds via the Cushman Multicomponent Reaction Followed by Post‐Condensation.
Authors: Sarnpitak Pakornwit , Krasavin Mikhail
Published: August 2014

The synthesis is based on Cushman multicomponent reaction, wherein aryl glyoxals are used as the carbonyl component for the first time.
ChemInform Abstract: Rhodium‐Catalyzed Sequential Allylic Amination and Olefin Hydroacylation Reactions: Enantioselective Synthesis of Seven‐Membered Nitrogen Heterocycles.
Authors: Arnold Jeffrey S. , Mwenda Edward T. , Nguyen Hien M.
Published: August 2014

The cyclization of the alkenals occurs without razemization.
ChemInform Abstract: Palladium‐Catalyzed Direct C—H Silylation and Germanylation of Benzamides and Carboxamides.
Authors: Kanyiva Kyalo Stephen , Kuninobu Yoichiro , Kanai Motomu
Published: August 2014

With the aid of 8‐aminoquinoline as a directing group the Pd‐catalyzed regioselective activation of aromatic C‐H bonds is demonstrated to afford the corresponding arylsilanes in good yields.
ChemInform Abstract: Dysidaminones A—M, Cytotoxic and NF‐ϰB Inhibitory Sesquiterpene Aminoquinones from the South China Sea Sponge Dysidea fragilis.
Authors: Jiao Wei‐Hua , Xu Ting‐Ting , Yu Hao‐Bing , Mu Feng‐Rong , Li Jia , Li Yu‐Shan , Yang Fan , Han Bing‐Nan , Lin Hou‐Wen
Published: August 2014

Thirteen new sesquiterpene aminoquinones are isolated and their structure is spectroscopically determined.
ChemInform Abstract: Fragilisinins A—L, New Briarane‐Type Diterpenoids from Gorgonian Junceella fragilis
Authors: Lei Hui , Sun Jian‐Fan , Han Zhuang , Zhou Xue‐Feng , Yang Bin , Liu Yonghong
Published: August 2014

isolation, structure and antifouling activities
ChemInform Abstract: Preparation of High Performance CaAlSiN3:Eu2+ Phosphors with the Aid of BaF2 Flux.
Authors: Hu Wei‐Wei , Cai Chao , Zhu Qiang‐Qiang , Xu Xin , Hao Lu‐Yuan , Agathopoulos Simeon
Published: August 2014

The strong red‐emitting title phosphor is synthesized by solid state reaction of Ca3N2, AlN, Si3N4, and EuN using BaF2, CaF2, NH4F, or H3BO3 as flux (BN crucibles, flowing N2, 1600 °C, 4 h).
ChemInform Abstract: Ferromagnetism of Zinc Oxide Nanograined Films
Authors: Straumal B. B. , Protasova S. G. , Mazilkin A. A. , Schuetz G. , Goering E. , Baretzky B. , Straumal P. B.
Published: August 2014

Review: 33 refs.
ChemInform Abstract: Tricks of Light on Helices: Transformation of Helical Polymers by Photoirradiation
Authors: Nakano Tamaki
Published: August 2014

Review: [39 refs.
ChemInform Abstract: Late‐Stage Formation of Carbon—Fluorine Bonds
Authors: Campbell Michael G. , Ritter Tobias
Published: August 2014

Review: 46 refs.
ChemInform Abstract: Pd0‐Mediated Rapid Cross‐Coupling Reactions, the Rapid C‐[11C]Methylations, Revolutionarily Advancing the Syntheses of Short‐Lived PET Molecular Probes
Authors: Suzuki Masaaki , Doi Hisashi , Koyama Hiroko , Zhang Zhouen , Hosoya Takamitsu , Onoe Hirotaka , Watanabe Yasuyoshi
Published: August 2014

Review: [58 refs.
ChemInform Abstract: Selenophene Electronics
Authors: Hollinger Jon , Gao Dong , Seferos Dwight S.
Published: August 2014

Review: recent syntheses, structure determination, and electronic device properties of π‐conjugated selenophene‐based materials; 88 refs.
ChemInform Abstract: Synthetic Strategies Toward the Indoxamycin Family
Authors: He Chi , Zhu Chenlong , Ding Hanfeng
Published: August 2014

Review: [16 refs.
ChemInform Abstract: Recent Developments in the Synthesis and Reactivity of Methylene‐ and Alkylidenecyclopropane Derivatives
Authors: Pellissier Helene
Published: August 2014

Review: [134 refs.
ChemInform Abstract: Asymmetric Phase‐Transfer Reactions under Base‐Free Neutral Conditions
Authors: Shirakawa Seiji , Maruoka Keiji
Published: August 2014

Review: [17 refs.
ChemInform Abstract: Catalytic Isonitrile Insertions and Condensations Initiated by RNC—X Complexation
Authors: Chakrabarty Suravi , Choudhary Shruti , Doshi Arpit , Liu Fa‐Qiang , Mohan Rishabh , Ravindra Manasa P. , Shah Dhruv , Yang Xun , Fleming Fraser F.
Published: August 2014

Review: [180 refs.
ChemInform Abstract: Tetrahydropyranyl Ether (THPE) Formation in Hydroxyl Group Protection and Conversion to Other Useful Functionalities
Authors: Kumar Brijesh , Aga Mushtaq A. , Rouf Abdul , Shah Bhahwal A. , Taneja Subhash C.
Published: August 2014

Review: [164 refs.
ChemInform Abstract: Nazarov‐Like Cyclization Reactions
Authors: Di Grandi Martin J.
Published: August 2014

Review: [31 refs.
ChemInform Abstract: Strategies for Desymmetrising Trehalose to Synthesise Trehalose Glycolipids
Authors: Wu Chia‐Hui , Wang Cheng‐Chung
Published: August 2014

Review: [24 refs.
ChemInform Abstract: The Large‐Area, Solution‐Based Deposition of Single‐Crystal Organic Semiconductors
Authors: Shaw Leo , Bao Zhenan
Published: August 2014

Review: [83 refs.
ChemInform Abstract: Near Infrared Organic Semiconducting Materials for Bulk Heterojunction and Dye‐Sensitized Solar Cells
Authors: Singh Surya Prakash , Sharma G. D.
Published: August 2014

Review: [274 refs.
ChemInform Abstract: Metallo‐organic Conjugated Systems for Organic Electronics
Authors: Asatkar Ashish K. , Bedi Anjan , Zade Sanjio S.
Published: August 2014

Review: [144 refs.
ChemInform Abstract: Photochemically Controlled Molecular Machines with Sequential Logic Operation
Authors: Avellini Tommaso , Baroncini Massimo , Ragazzon Giulio , Silvi Serena , Venturi Margherita , Credi Alberto
Published: August 2014

Review: [66 refs.
ChemInform Abstract: Sonication‐Induced Pathways in the Synthesis of Light‐Active Catalysts for Photocatalytic Oxidation of Organic Contaminants
Authors: Colmenares Juan Carlos
Published: August 2014

Review: [90 refs.
ChemInform Abstract: Recent Progress on the Tailored Synthesis of Various Mesoporous Fibers Toward Practical Applications
Authors: Suzuki Norihiro , Liu Jian , Yamauchi Yusuke
Published: August 2014

Review: [27 refs.
ChemInform Abstract: Challenges in Modelling Homogeneous Catalysis: New Answers from ab initio Molecular Dynamics to the Controversy over the Wacker Process
Authors: Stirling Andras , Nair Nisanth N. , Lledos Agusti , Ujaque Gregori
Published: August 2014

Review: 50 refs.
Particle resolved simulations of carbon oxidation in a laminar flow
Authors: Safronov Dmitry , Kestel Matthias , Nikrityuk Petr , Meyer Bernd
Published: August 2014

This work is devoted to the numerical study of the impact of the Reynolds number and the ambient gas temperature on the partial oxidation of a single moving coal particle. The model includes six gaseous chemical species, three semi‐global heterogeneous surface reactions, and three homogeneous gas reactions. The Navier–Stokes equations coupled with the energy and species conservation equations were used to solve the problem. The diameter of the particles considered was set up as 2 mm and 200m. An analysis of the simulations related to the influence of particle Reynolds numbers on integral characteristics such as surface‐averaged carbon consumption rates revealed that the oxidation rate increases with increasing gas velocity, which is logical. However, the increase in the particle Reynolds number leads to the prolongation of the kinetically controlled regime from lower to higher temperatures, which is explained by the enhancement of the mass transfer between the particle and the surrounding gas. Using visualization of the temperature and species mass fraction distributions around the reacting particles predicted numerically, the three well‐known basic oxidation regimes, namely the diffusion‐controlled, transitional, and kinetically controlled regimes are described, taking into account the impact of the particle Reynolds number on the dynamics of oxidation. The influence of radiation in the gas phase on oxidation rates was studied numerically using P1 radiation model. Additionally the behaviour of heterogeneous Damköhler numbers, Thiele modulus and effectiveness factors depending on the ambient temperature and particle Reynolds number was analyzed and discussed.
Nitrification in a Model Distribution System Fed with Reclaimed Water from a Wastewater Treatment Plant
Authors: Wang Yi , Ke Li , Pei Li‐Ying , Fan Li‐Yan , Nan Ya‐Ping , Peng Dang‐Cong , Xia Si‐Qing
Published: August 2014

This study characterized the nitrification in a reclaimed water distribution system (DS) and the population size of ammonium‐oxidizing bacteria (AOB) and nitrite‐oxidizing bacteria (NOB) distributed along the flow course by a series of mixed reactors. The series reactors were initially adopted to study the DS of the reclaimed water and can be used as a feasible method for a similar investigation. This method was easy to model, control, and sample the biofilm formed in the DS. The series reactors were assembled in the Qingyuan Wastewater Treatment and Reuse Company of Xi'an, where the finished water was drawn directly. A mean of 85.0% NH4+‐N removal was obtained during a continuous operation of 239 days, when the influent concentration of NH4+‐N was 5.21 mg/L on average. The measurement of inorganic nitrogen and nitrification rate along the flow course indicated high activities of the nitrifiers that mainly existed at the initial segment of DS, whereas the pH value and dissolved oxygen concentration decreased. The analysis of the fluorescence in situ hybridization exhibited that the population of the nitrifiers was the highest (an average of 14.33–41.75%) of all bacteria in the biofilm. The dominating species of AOB were Nitrosospira, which presented an increasing trend along the DS course. The dominant shift of NOB, from Nitrobacter to Nitrospira, along the DS may be attributed to the variance of the nutrient condition. This shift confirmed the K/r hypothesis.
Concentrations and Bioavailability of Heavy Metals in Sediments of Riverine Wetlands Located in the Huaihe River Watershed, China
Authors: Yuan Hezhong , Pan Wei , Zhu Zhengjie , Geng Qifang , Li Pengshan , Xie Dong , Liu Yuhong
Published: August 2014

Fractionations and mobility of heavy metals in sediment cores taken from the Suoxu River located in the Huaihe River watershed, China, were carried out and assessed. The results revealed that the total concentrations of Cd, Cr, Cu, Pb, and Zn reached up to 0.38, 70.2, 92.1, 35.9, and 227.0 mg kg−1 in sediment cores from the upstream, 0.19, 66.5, 27.4, 29.1, and 80.1 mg kg−1 from the midstream and 0.18, 49.4, 24.2, 28.5, and 64.8 mg kg−1 from downstream of the river, respectively. The concentrations of heavy metals near the surface of sediment cores from the upstream were significantly higher compared to the bottom and the downstream of the river. Significant positive correlations between total organic carbon and metals suggested that heavy metals tended to be adsorbed by organic material, especially in sediment cores from the upstream of the river possessing high concentrations of organic matter. In addition, the geoaccumulation index (Igeo) values of deep sediment samples were lower than those of surficial sediment samples and increased drastically from about 4 cm depth layer. Igeo values greater than 1 in the upper layer of sediments from the upstream of the river revealed that the upper stream of the Suoxu River was exposed to moderate pollution. The increase of metal concentrations was connected with the inflow of the contaminated water from industrial effluents and domestic sewage. Finally, the sequential extraction after the European Communities Bureau of Reference procedure indicated that Cd was primarily bound to acid extractable fractions with a percentage from 47.4 to 63.8%, 51.1 to 73.3%, and 47.5 to 71.9% in the three sediment profiles, respectively. The upstream of the river was exposed to toxicity of Cd for the significant mobility. Cu and Pb possessed potential bioavailability because of the association with reducible and oxidizable species and could be released and entered into the food chain, whereas Cr and Zn displayed weak mobility because of the connection with residual fractions, concluded from the largest proportions accounting for total concentrations.
Influences of Land Use on Sediment Pollution across Multiple Spatial Scales in Taihu Basin
Authors: Cai Ying , Zhao Dehua , Xu Delin , Jiang Hao , Yu Mengqiu , Leng Xin , Xie Dong , An Shuqing
Published: August 2014

The dynamic relationship between land use and sediment pollutants in plain river network area were explored at multiple spatial scales. In our study, semi‐circle buffers (100, 200, 500, 1000, 1500, and 2000 m) were drawn to represent six spatial scales. Multivariate analysis, including principal component analysis, Pearson's correlation analysis, and stepwise regression analysis were used to detect the characteristic spatial scale of non‐point source pollution in Taihu Basin. The results suggested that paddy field, rural residential, build‐up, and vegetation are the most important indicators for sediment pollution variability, and sediment pollution was influenced by integrated effects of land uses. The same type of land use could produce different pollutant concentration. The impacts of anthropogenic land use on sediment pollution might have different characteristic spatial scale, e.g. 500 m buffer scale was identified as human disturbances spatial critical scale for total nitrogen, Hg, Pb, and Zn, 1000 m buffer scale for Cd, Cr, and Cu, 1500 m buffer scale for organic matter, and total phosphorus was significantly influenced by human activities in 1000–1500 m. We concluded that the 1000 m buffers on both sides of rivers which considered as the existing priority areas for environmental protection are not very effective in Taihu Basin and expanding the priority regions is therefore crucial to optimize their effectiveness. The identification of the characteristic spatial scale of anthropogenic disturbance could provide new ideas for water environmental protection management in Taihu Basin.
Chromophoric Dissolved Organic Matter Fluctuation Assessment in an Urban River
Authors: Liang Yuting , Xiao Xian , Du Erdeng , Song Chengjie , Song Chaopeng , Zhao Yuan , Liu Xiang
Published: August 2014

To investigate the compositions and spatio‐temporal changes of chromophoric dissolved organic matter (CDOM) in a typical urban river in Taihu Basin, China, that has been treated with series of water quality mitigation measures, 180 water samples were collected from November 2011 to October 2012 and analyzed with fluorescence excitation–emission matrices combined with parallel factor analysis (EEMs–PARAFAC). Three humic‐like components (C1, C2, and C4) and two protein‐like components (C3 and C5) were identified. Fluorescent intensity showed more apparent temporal changes than spatial changes, and humic‐like substances were dominant. The C3, C4, and C5 components decreased from November 2011 to October 2012, indicating effective CDOM removal by the water quality mitigation measures. Significant positive correlations were found between fluorescent components (C3 and C5) and nutritional factors including TN, NH4+‐N, and NO3−‐N. Furthermore, changes of fluorescent components (C2) were found to be related to microbial phosphatase activities. The application of EEMs–PARAFAC presents a promising approach to track the compositions and spatio‐temporal changes of CDOM in urban rivers.
Securing wireless mobile nodes from distributed denial‐of‐service attacks
Authors: Varadharajan Vijay , Tupakula Udaya
Published: August 2014

The current mobile devices have become smart and are increasingly being used for conducting business and personal activities. Also, there is increasing number of attacks targeting such mobile devices. The term mobile botnet refers to group of mobile devices that are compromised and controlled by the attacker that can be used for generating distributed denial‐of‐service attacks. The security protocols that have been proposed for wireless and mobile networks have several weaknesses that can be exploited by the attacker to obtain unauthorized access and generate attacks. Also, there is growing number of malicious applications that are aimed to compromise smartphones and using them for generating different types of attacks. In this paper, we propose techniques to counteract distributed denial‐of‐service attacks on wireless mobile devices. We describe the operation and architectural components of our model. We will show that our model is able to efficiently deal with the attacks by dropping the attack traffic before it targets the victim mobile node, can prevent the attack traffic at the upstream nodes, and also deal with the attack cases that involve mobility of the attacking and victim nodes. Copyright © 2014 John Wiley & Sons, Ltd.
OpenCL performance portability for general‐purpose computation on graphics processor units: an exploration on cryptographic primitives
Authors: Agosta Giovanni , Barenghi Alessandro , Di Federico Alessandro , Pelosi Gerardo
Published: August 2014

The modern trend toward heterogeneous many‐core architectures has led to high architectural diversity in both high performance and high‐end embedded systems. To effectively exploit the computational resources of such a wide range of architectures, programming languages and APIs such as OpenCL have become increasingly popular. Although OpenCL provides functional code portability and the ability to fine tune the application to the target hardware, providing performance portability is still an open problem. Thus, many research works have investigated the optimization of specific combinations of application and target platform. In this paper, we aim at leveraging the experience obtained in the implementation of algorithms from the cryptography domain to provide a set of guidelines for modern many‐core heterogeneous architecture performance portability and to establish a base on which domain‐specific languages and compiler transformations could be built in the near future. We study algorithmic choices and the effect of compiler transformations on three representative applications in the chosen domain on a set of seven target platforms. To estimate how well the application fits the architecture, we define a metric of computational intensity both for the architecture and the application implementation. Besides being useful to compare either different implementation or algorithmic choices and their fitness to a specific architecture, it can also be useful to the compiler to guide the code optimization process. Copyright © 2014 John Wiley & Sons, Ltd.
Low Participation of Oxygen in the Generation and Progression of Bow‐Tie Trees
Authors: Kumazawa Takao , Morinaga Seiji
Published: August 2014

Bow‐tie trees (BTTs) generated by microscopic contaminants or voids in insulators of cross‐linked polyethylene (XLPE) cables still remain a factor contributing to deterioration. It has been reported that redox reactions of ions diffusing in XLPE lead to molecular chain cleavage. In such an electrochemical mechanism, the participation of oxygen in addition to ions is suspected. In order to examine the influence of oxygen on BTT generation and progress, we performed various experiments controlling oxygen gas by vacuum degassing, a gas barrier film, and so on. The number of BTTs and the maximum BTT length of XLPE samples aged at 60 °C increased with the water content. However, several of the data deviated significantly from these relationships. These results indicate that BTT generation and progression were promoted by vacuum degassing and inhibited by wrapping the samples with a gas barrier film or bubbling air through tap water to immerse the samples. On the whole, the behavior of BTT generation toward supplying or shielding of oxygen was not consistent. The experimental results can be qualitatively explained by diffusion or permeation of ions and water rather than oxygen gas, and thus oxygen seems not to be directly associated with BTT generation and progress.
Research advancements in palm oil nutrition
Authors: May Choo Yuen , Nesaretnam Kalanithi
Published: August 2014

Palm oil is the major oil produced, with annual world production in excess of 50 million tonnes. About 85% of global palm oil produced is used in food applications. Over the past three decades, research on nutritional benefits of palm oil have demonstrated the nutritional adequacy of palm oil and its products, and have resulted in transitions in the understanding these attributes. Numerous studies have demonstrated that palm oil was similar to unsaturated oils with regards to effects on blood lipids. Palm oil provides a healthy alternative to trans‐fatty acid containing hydrogenated fats that have been demonstrated to have serious deleterious effects on health. The similar effects of palm oil on blood lipids, comparable to other vegetable oils could very well be due to the structure of the major triglycerides in palm oil, which has an unsaturated fatty acid in the stereospecific numbers (sn)‐2 position of the glycerol backbone. In addition, palm oil is well endowed with a bouquet of phytonutrients beneficial to health, such as tocotrienols, carotenoids, and phytosterols. This review will provide an overview of studies that have established palm oil as a balanced and nutritious oil.

Numerous studies in human and animal on nutritional attributes of palm oil have shown that: Palm olein is comparable to monounsaturated oils (e.g. olive oil) in its effect on lipid profile. Palm oil is well endowed with a bouquet of phytonutrients beneficial to health.
Chemoenzymatically synthesized policosanyl phenolates as autoxidation inhibitors
Authors: Wang Zhiqiang , Hwang Seung Hwan , Lim Soon Sung
Published: August 2014

In this study, ten policosanyl phenolates were synthesized via a two‐step chemoenzymatic route. The intermediate vinyl esters were first chemically produced and subsequently esterified with policosanols catalyzed by Novozyme 435 (Candida antarctica lipase B). The conversion yields of the policosanyl phenolates were in the range of 4.20–37.14%. Their antioxidant activities were evaluated. Results showed that, compared with the corresponding phenolic acids, all synthesized policosanyl phenolates had better activities for peroxide value, but worse for 2,2'‐azinobis(3‐ethylbenzothiazoline‐6‐sulfonic acid) assay; policosanyl p‐coumarate and policosanyl 5‐phenylvalerate showed a moderate and durable inhibition effect on lipid oxidation both in a linoleic acid system and a cooked pork system.

Practical applications: It is important to develop antioxidants from natural sources. The lipophilization of phenolic acids with fatty alcohols can improve the hydrophobicity and change the antioxidant capacity of phenols. This study focuses on policosanol, which is a food‐grade mixture of long‐chain aliphatic primary alcohols, having development and application potential as a cost‐effective food additive. According to our results, policosanyl phenolates, which are a new range of amphiphilic antioxidant molecules, have the potential for use as alternative food antioxidants in the food industry.

The policosanyl phenolates were synthesized via a two‐step route as shown in the figure. The intermediate vinyl esters were first chemically produced and subsequently esterified with policosanols catalyzed by Novozyme 435 (Candida antarctica lipase B).
An Efficient Method for Enhancing the Reactivity and Flexibility of [18F]Fluoride Towards Nucleophilic Substitution Using Tetraethylammonium Bicarbonate
Authors: Brichard Laurent , Aigbirhio Franklin I.
Published: August 2014

The standard method used to generate reactive [18F]fluoride for [18F]radiolabelling is to trap it on an anion‐exchange cartridge then elute it with a basic aqueous solution, which is then subjected to azeotropic evaporation to remove water. We have now developed a method through the use of tetraethylammonium hydrogen carbonate in which we can obtain efficient recovery of [18F]fluoride (up to 99 %), remove the requirement for the time‐consuming and inefficient azeotropic evaporation process and produce a reactive [18F]fluoride that can undergo a wide range of aliphatic and aromatic [18F]nucleophilic substitutions in up to 93 % radiochemical conversion at end‐of‐synthesis in the presence or without water.
Synthesis, Chiral Resolution, and Absolute Configuration of C2‐Symmetric, Chiral 9,9′‐Spirobifluorenes
Authors: Stobe Caroline , Seto Ryota , Schneider Andreas , Lützen Arne
Published: August 2014

Racemic 2,2′‐, 2,2′,7,7′‐, and 2,2′,3,3′‐substituted 9,9′‐spirobifluorenes were synthesised and successfully resolved by HPLC on a Chiralpak IA stationary phase on both analytical and semipreparative scales. Their absolute configurations were determined by comparison of their specific optical rotations with literature data or by comparison of retention times with independently prepared enantiopure material. These compounds are versatile C2‐symmetric building blocks for the formation of more sophisticated cleft‐like, chiral molecular architectures.
Highly Stereoselective Nucleophilic Addition of Difluoromethyl‐2‐pyridyl Sulfone to Sugar Lactones and Efficient Synthesis of Fluorinated 2‐Ketoses
Authors: Liu Xiao , Yin Qiang , Yin Jian , Chen Guohua , Wang Xin , You Qi‐Dong , Chen Yue‐Lei , Xiong Bing , Shen Jingkang
Published: August 2014

Nucleophilic addition of difluoromethyl‐2‐pyridyl sulfone to sugar lactones proceeded with good yield and excellent stereoselectivity. The hitherto unknown direct addition intermediates are stable and capable of useful conversions: Formal elimination of the anomeric hydroxy and sulfonyl groups yielded a 1‐deoxy‐1‐difluoromethylene mannopyranose derivative. Directly from sugar lactones, by nucleophilic addition and subsequent one‐pot reduction with allylmagnesium chloride, unprecedented fluorinated 2‐ketose analogues were prepared efficiently.
A Base‐Mediated Mild Sulfenylation of Indoles and Pyrrole with α‐Acylthiones
Authors: Viglianisi Caterina , Marcantoni Enrico , Carapacchi Vanessa , Menichetti Stefano , Marsili Laura
Published: August 2014

A new procedure for the sulfenylation of indoles and pyrroles based on an aromatic substitution with α‐acylthiones used as electrophiles is described. The sulfenylating species were obtained, under very mild reaction conditions, from N‐thiophthalimides, using a weak base (pyridine or triethylamine) as promoter. The overall yields obtained are comparable with those obtained by other known sulfenylation protocols, which typically require harsher reaction conditions and/or metal‐containing Lewis acids as promoters.
Development of two highly sensitive forensic sex determination assays based on human DYZ1 and Alu repetitive DNA elements
Authors: Fazi Amanda , Gobeski Brianne , Foran David
Published: August 2014

Sex determination is a critical component of forensic identification, the standard genetic method for which is detection of the single copy amelogenin gene that has differing homologues on the X and Y chromosomes. However, this assay may not be sensitive enough when DNA samples are minute or highly compromised, thus other strategies for sex determination are needed. In the current research, two ultrasensitive sexing assays, based on real‐time PCR and pyrosequencing, were developed targeting the highly repetitive elements DYZ1 on the Y chromosome and Alu on the autosomes. The DYZ1/Alu strategy was compared to amelogenin for overall sensitivity based on high molecular weight and degraded DNA, followed by assaying the sex of 34 touch DNA samples and DNA from 30 hair shafts. The real‐time DYZ1/Alu assay proved to be approximately 1500 times more sensitive than its amelogenin counterpart based on high molecular weight DNA, and even more sensitive when sexing degraded DNA. The pyrosequencing DYZ1/Alu assay correctly sexed 26 of the touch DNAs, compared to six using amelogenin. Hair shaft DNAs showed equally improved sexing results using the DYZ1/Alu assays. Overall, both DYZ1/Alu assays were far more sensitive and accurate than was the amelogenin assay, and thus show great utility for sexing poor quality and low quantity DNA evidence.
Eating Disorder Examination Questionnaire: Psychometric Properties and Norms for the Portuguese Population
Authors: Machado Paulo P. P. , Martins Carla , Vaz Ana R. , Conceição Eva , Bastos Ana Pinto , Gonçalves Sónia
Published: August 2014

Objective

The first aim of the current study was to establish general population norms for the Portuguese version of the Eating Disorder Examination Questionnaire (EDE‐Q) in a large community sample of female adolescents and young women, as well, for a diverse Eating Disorder (ED) clinical sample, and for women with obesity without an ED. A second aim of the study was to assess the discriminant validity of the EDE‐Q and providing cut‐off scores for the total scale and subscales.

Method

A sample of female adolescents and young women (N = 4091) from the general population, 416 women who met diagnostic criteria for an ED and 138 women seeking obesity treatment completed the EDE‐Q.

Results

Norms for the EDE‐Q global subscale were provided. Within the community sample, norms were provided for both high school and college samples. Receiver operating characteristic analysis showed that the EDE‐Q total score accurately discriminate between participants with and without an ED. Current norm contributes to the clinical utility of the EDE‐Q, providing both a cut‐off score and reliable change index. Results showed that the EDE‐Q is a reliable instrument, but the theorized four subscales structure was not supported by an explorative factor analysis.

Conclusion

Results will help both researchers and clinicians interpreting the EDE‐Q scores and to establish comparison with data produced in different countries. Copyright © 2014 John Wiley & Sons, Ltd and Eating Disorders Association.
User Requirement Analysis for an Online Collaboration Tool for Senior Industrial Engineering Design Course
Authors: Nanda Gaurav , Lehto Mark R. , Nof Shimon Y.
Published: August 2014

Many undergraduate industrial engineering programs offer a capstone senior design course that gives students an opportunity to apply the knowledge gained through their coursework to real‐world projects. In this article, we present the results of a user requirements analysis of online collaboration tools containing Web 2.0 features for teaching such courses. A structured focus group analysis was conducted in which subjects evaluated several Web 2.0 features implemented using HUBzero in a prototype online collaboration tool. Our subjects included undergraduate students, faculty members, teaching assistants, and company representatives who had recently participated in an industrial engineering senior design course. On the basis of the responses of the 40 subjects, we identified desirable features for online collaboration tools to be used when teaching capstone senior design courses. A follow‐up supplementary survey of 108 students currently enrolled in an industrial engineering senior design course offered at Purdue University revealed results consistent with the findings of the focus group study. Features found to be particularly important components of such a collaboration tool included file sharing, the ability to form user groups, provision of online comments and feedback, easy organization of content, and communication methods for remote collaboration. The usability of the tool was also rated as being very important.
A Tag‐Based Approach for Learning Ergonomic Concepts
Authors: Tsai Li Chen , Tang Kuo Hao , Hwang Sheue Ling
Published: August 2014

The rapid advance of web technologies has enabled people to get a tremendous amount of information by clicking browser hyperlinks or typing query‐terms (keywords) into search engines. Users are no longer limited to specialized databases; an isolated search can lead to exploration, learning, and sharing. Collaborative information networks, such as Delicious, CiteULike, and others, can support information searching and self‐learning. In the context of ergonomics, we hypothesized that tags chosen by experts would facilitate knowledge acquisition, understanding, and self‐learning. These tags act as “learning cues”; they are intrinsic to the subject matter but extrinsic to the experts who apply them. Before the main experiment, a prior test collected tags applied to articles by experts and novices. The main experiment compared the effects of expert tagging with the effects of novice tagging on the self‐learning behavior of novices. It was intended to discover whether tag‐mediated conceptualization could help novices spontaneously formalize original ergonomics concepts. The result revealed that tags chosen by experts reflected better understanding of the content, and that expert tags significantly helped self‐learning of the structure of the ergonomic knowledge. The present article presents the results and discusses the implications of this research.