bluuebunny/crossref_metadata_2025 huggingface dataset:
Transmission pricing software for power engineering education
Authors: Tziasiou Georgia T. , Orfanos George A. , Georgilakis Pavlos S. , Hatziargyriou Nikos D.
Published: June 2011

This article presents a computer program that is used in a power system economics course in order to clarify the differences and the impact of eight transmission pricing and three tracing methodologies on transmission cost allocation. The software can graphically represent the allocation of transmission cost to network users. Thanks to its graphical user interface, the software is very friendly for the students. Moreover, this article presents an educational example that helps students understand all the calculations that are involved in transmission pricing. The software and the example‐driven presentation have been proven very efficient in the education of students at the National Technical University of Athens (NTUA), Greece. In conclusion, the work presented in this article advances the use of computer application in the education of transmission pricing. © 2011 Wiley Periodicals, Inc. Comput Appl Eng Educ 22:410–428, 2014; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.10.1002/cae.20565
Contagion in the Representational Field of Water Recycling: Informing New Environment Practice Through Social Representation Theory
Authors: Callaghan Peta , Moloney Gail , Blair Duncan
Published: June 2011

Water shortages in Australia have highlighted an urgent need for alternative water sources, and technologically, water recycling is argued to offer the most cost‐effective, environmentally sustainable solution to these shortages. Yet public support for its implementation is low even in the drought‐stricken areas of Australia. Drawing from the theory of social representations, this study addressed community perceptions of water recycling. Three interrelated methodologies were employed in a self‐report questionnaire. Individual difference scaling/multidimensional scaling analyses of three word association tasks revealed that the emergent social representation of water recycling was contradictory in affect. Normative responses indicated an awareness of the need to use recycled water whereas the functional responses were associated with a fear of contamination. An analysis of differential use scales further revealed that the perception of contagion was specific to when recycled water had contact with the body. The discursive analysis of respondents' comments expanded on both these findings. The study identified the themata of purity/impurity as underpinning the social understanding of water recycling. Copyright © 2011 John Wiley & Sons, Ltd.
Turnover Numbers and Soluble Metal Nanoparticles
Authors: Umpierre Alexandre P. , de Jesús Ernesto , Dupont Jairton
Published: June 2011

The catalytic activity expressed by turnover number (TON) and turnover frequency (TOF) in different fields of catalysis (enzymatic, homogeneous (single‐site), heterogeneous (multi‐site), and nanocatalysis (oligo‐site)) are usually estimated in slightly different ways and with slightly different, yet important meanings. For soluble metal nanoparticles, the ideal is to determine the TON by using the titrated number of active catalytic sites before the catalyst is inactivated. However, in the absence of reliable titration methods it is suggested that TON figures should always be reported as the number of moles of reactants consumed per mol of soluble metal catalyst, and that they should also be corrected by the number of exposed surface atoms by using the metal atom’s magic number approach. Moreover, it is strongly recommended that the TOF should be determined from the slope of plots of turnover numbers versus time, because in various cases the size and shape of the soluble nanoparticles might change dramatically during the reaction. As in organometallic catalysis, in the absence of TON vs. time data, the TOF should be estimated for low substrate conversions.
Elucidation of Lignin Structure by Quantitative 2D NMR
Authors: Sette Marco , Wechselberger Rainer , Crestini Claudia
Published: June 2011

Quick quantitative HSQC (QQ‐HSQC) was applied to quantitative evaluation of different inter‐unit linkages in an array of milled softwood and hardwood and technical lignins by using the guaiacyl C2 and syringyl C2–C6 signals as internal standards. The results were found to be highly reproducible and comparable with earlier literature reports. The advantage of QQ‐HSQC NMR analysis of lignin is contemporary detection and quantification of lignin inter‐unit linkages with a direct, non‐destructive method requiring short acquisition times.
The Dilemma of CrIIINiII Exchange Interactions: Ferromagnetism versus Antiferromagnetism
Authors: Aravena Daniel , Ruiz Eliseo
Published: June 2011

The sign of the exchange interaction in dinuclear CrIIINiII complexes was analyzed using theoretical methods based on density functional theory. This approach allowed us to reproduce the experimental J values correctly. In addition, the Kahn–Briat model, which uses the square of the sum of the overlaps between the magnetic orbitals to correlate with the exchange coupling constant, provided a reasonable correlation between the different types of CrIIINiII complexes when using biorthogonalized orbitals. We also examined the exchange interactions in two polynuclear CrIIINiII complexes: a Cr7Ni ring and an S‐shaped Cr12Ni3 complex. We concluded that both systems exhibit antiferromagentic interactions, and that the CrIII⋅⋅⋅NiII interactions are similar in value to the CrIII⋅⋅⋅CrIII exchange couplings.
Hybrid Gold‐Nanoparticle‐Cored Conjugated Thiophene Dendrimers: Synthesis, Characterization, and Energy‐Transfer Studies
Authors: Deng Suxiang , Fulghum Timothy M. , Krueger Greg , Patton Derek , Park Jin‐Young , Advincula Rigoberto C.
Published: June 2011

A series of hybrid Au‐nanoparticle‐dendrimer materials: nanoparticle‐cored thiophene dendrimers (NCTDs) were synthesized, characterized, and investigated for their energy‐transfer properties. These hybrid nanoparticles were obtained by the simultaneous and in situ reduction of gold(III) chloride and self‐assembly of the thiol‐containing thiophene dendritic ligands. The dendron ligands were radially attached to the gold nanoparticles and were analyzed by TEM, UV/Vis, 1H NMR, and FTIR spectroscopies. The solution fluorescence of the attached thiophene dendrons are quenched progressively. Both alkyl‐chain length and dendron size have significant influence on the energy‐transfer efficiency, as well as on core sizes and size distribution of the Au nanoparticles. In spite of the phenomenon’s dependence on nanoparticle size, the energy transfer generally follows the 1/d2 distance dependence. Single NCTD nanoparticles were also adsorbed on highly ordered pyrolytic graphite (HOPG) and uniform aggregates were observed on mica flat substrates.
Asymmetric Catalysis with Helical Polymers
Authors: Megens Rik P. , Roelfes Gerard
Published: June 2011

Inspired by nature, the use of helical biopolymer catalysts has emerged over the last years as a new approach to asymmetric catalysis. In this Concept article the various approaches and designs and their application in asymmetric catalysis will be discussed.
ChemInform Abstract: Revised Ionic Radii of Lanthanoid(III) Ions in Aqueous Solution.
Authors: D'Angelo Paola , Zitolo Andrea , Migliorati Valentina , Chillemi Giovanni , Duvail Magali , Vitorge Pierre , Abadie Sacha , Spezia Riccardo
Published: June 2011

The combination of EXAFS spectroscopy and molecular dynamics simulations leads to the proposal of a new improved set of ionic radii for lanthanoid(III) cations in aqueous solution.
ChemInform Abstract: Phase Range and Physical Properties of the Thallium Tin Tellurides Tl10‐xSnxTe6 (x ≤ 2.2).
Authors: Kuropatwa Bryan A. , Assoud Abdeljalil , Kleinke Holger
Published: June 2011

The title compounds are characterized by XRD, thermoelectric measurements, and TB‐LMTO calculations.
ChemInform Abstract: Synthesis of the Clathrate‐I Phase Ba8‐xSi46 via Redox Reactions.
Authors: Liang Ying , Boehme Bodo , Reibold Marianne , Schnelle Walter , Schwarz Ulrich , Baitinger Michael , Lichte Hannes , Grin Yuri
Published: June 2011

Microcrystalline powders of the title clathrate phase (1.3 < x < 1.9, space group Pm$\bar 3$n) are synthesized within a few minutes by oxidation of Ba4Li2Si6 with gaseous HCl obtained from NH4Cl (two‐zone furnace: 210 and 400 °C, 6.67 mbar HCl, single‐zone furnace: 500 °C, 15 min).
ChemInform Abstract: Highly Regioselective Control of 1,2‐Addition of Organolithiums to α,β‐Unsaturated Compounds Promoted by Lithium Bromide in 2‐Methyltetrahydrofuran: A Facile and Eco‐Friendly Access to Allylic Alcohols and Amines.
Authors: Pace Vittorio , Castoldi Laura , Hoyos Pilar , Sinisterra Jose Vicente , Pregnolato Massimo , Sanchez‐Montero Jose Ma.
Published: June 2011

Lithium bromide‐mediated addition of organolithium reagents towards α,β‐unsaturated aldehydes and ketones proceeds with excellent 1,2‐chemoselectivity to give the corresponding allylic alcohols (III) and (V) in high yields.
ChemInform Abstract: N‐Heterocyclic Carbene Functionalized MCM‐41 as an Efficient Catalyst for Chemical Fixation of Carbon Dioxide.
Authors: Zhou Hui , Wang Yi‐Ming , Zhang Wen‐Zhen , Qu Jing‐Ping , Lu Xiao‐Bing
Published: June 2011

The title catalyst shows temperature dependent and reversible binding of carbon dioxide.
ChemInform Abstract: Mild and Selective Vanadium‐Catalyzed Oxidation of Benzylic, Allylic, and Propargylic Alcohols Using Air.
Authors: Hanson Susan K. , Wu Ruilian , Silks L. A. Pete
Published: June 2011

The catalyst is easily prepared in one step under air using commercially available reagents.
ChemInform Abstract: Selective Oxidation of Benzylic and Allylic Alcohols Using Mn(OAc)3/Catalytic 2,3‐Dichloro‐5,6‐dicyano‐1,4‐benzoquinone.
Authors: Cosner Casey C. , Cabrera Pablo J. , Byrd Katherine M. , Thomas Asia M. Adams , Helquist Paul
Published: June 2011

Various substrates can be successfully transformed to the corresponding aldehydes or ketones.
ChemInform Abstract: Reactions of α‐Difluoro Azides with Olefins.
Authors: Lermontov S. A. , Pushin A. N. , Shkavrov S. V. , Polivanova A. G.
Published: June 2011

The reaction behavior of fluorinated azides (II) towards several strained and unstrained unsaturated systems is investigated.
ChemInform Abstract: Reducing the Cost, Smell, and Toxicity of the Barton Reductive Decarboxylation: Chloroform as the Hydrogen Atom Source.
Authors: Ko Eun Jung , Savage G. Paul , Williams Craig M. , Tsanaktsidis John
Published: June 2011

The use of chloroform as a solvent is crucial as it serves also as a hydrogen source.
ChemInform Abstract: Vicinal C‐Functionalization of Alkenes. Pd/Light‐Induced Multicomponent Coupling Reactions Leading to Functionalized Esters and Lactones.
Authors: Fusano Akira , Sumino Shuhei , Fukuyama Takahide , Ryu Ilhyong
Published: June 2011

The four‐component reaction of alkenes, iodoalkanes, carbon monoxide and alcohols is induced by Xe light and leads to functionalized esters.
ChemInform Abstract: Synthesis of N‐Arylhydroxylamines by Pd‐Catalyzed Coupling.
Authors: Beaudoin Daniel , Wuest James D.
Published: June 2011

Optimized conditions A) allow an efficient coupling of the protected hydroxylamine (I) with various aryl halides.
ChemInform Abstract: Highly Efficient Alcohol Oxidation on Nanoporous VSB‐5 Nickel Phosphate Catalyst Functionalized by NaOH Treatment.
Authors: Li Chunlin , Kawada Hirofumi , Sun Xiaoyu , Xu Hengyong , Yoneyama Yoshiharu , Tsubaki Noritatsu
Published: June 2011

Treatment of VBS‐5 with aq.
ChemInform Abstract: Benzyl Radical Addition Reaction Through the Homolytic Cleavage of a Benzylic C—H Bond.
Authors: Miyata Okiko , et al. et al.
Published: June 2011

Direct generation of a benzyl radical by C—H bond activation of toluenes and the addition reaction to an electro‐deficient olefin are developed.
ChemInform Abstract: Catalytic Asymmetric Hydroxylation of α‐Alkoxycarbonyl Amides with a Pr(OiPr)3/Amide‐Based Ligand Catalyst.
Authors: Takechi Sho , Kumagai Naoya , Shibasaki Masakatsu
Published: June 2011

The optimized process can be efficiently applied to substrates bearing an aryl moiety.
ChemInform Abstract: Catalyst‐Free Conjugate Addition of Thioacids to Activated Olefins Accelerated in Water.
Authors: Marjani Katayoun , Khalesi Maryam , Ashouri Akram , Jalali Aazam , Ziyaei‐Halimehjani Azim
Published: June 2011

Optimum reaction conditions are examined for the Michael addition of thioacetic acid and thiobenzoic acid to activated olefins.
ChemInform Abstract: Catalytic Double C—Cl Bond Activation in CH2Cl2 by Iron(III) Salts with Grignard Reagents.
Authors: Qian Xin , Kozak Christopher M.
Published: June 2011

A dinuclear amine‐bis(phenolate) iron complex (I) or FeCl3 are used in the cross‐coupling of Grignard reagents with dichloromethane to give diarylmethanes and diarylethanes.
ChemInform Abstract: Chelation‐Mediated Palladium(II)‐Catalyzed Domino Heck—Mizoroki/Suzuki—Miyaura Reactions Using Arylboronic Acids: Increasing Scope and Mechanistic Understanding.
Authors: Yahiaoui Samir , Fardost Ashkan , Trejos Alejandro , Larhed Mats
Published: June 2011

The treatment of vinyl ethers (I) and (IV) with various arylboronic acids and vinylboronic acid (IIj) in the presence of benzoquinone allows formation of a number of 1,2‐difunctionalized ethers.
ChemInform Abstract: One‐Pot Synthesis of 1,4‐Diarylsubstituted 1,3‐Diynes from the Sequential Coupling Reactions of Aryl Iodides and Propiolic Acid.
Authors: Kim Yong , Park Ahbyeol , Park Kyungho , Lee Sunwoo
Published: June 2011

The synthesis of the highly important diyne building blocks is achieved via Sonogashira coupling followed by decarboxylative homocoupling of the intermediate aryl‐substituted propiolic acids.
ChemInform Abstract: Cross‐Coupling of Alkyl Halides with Heteroaromatic Halides, in Water at Room Temperature.
Authors: Krasovskiy Arkady , Thome Isabelle , Graff Julien , Krasovskaya Valeria , Konopelski Paul , Duplais Christophe , Lipshutz Bruce H.
Published: June 2011

Organo zinc halides, readily generated from water‐insoluble hetaryl bromides, react under optimized conditions with a variety of alkyl halides in water using a hydrophilic Pd‐catalyst and a commercially available amphiphilic phase transfer catalyst.
ChemInform Abstract: An Effective Method for the Preparation of Chlorolactones.
Authors: Zhu Min , Li Li , Tong Jiang Ying , Zhang Hui
Published: June 2011

Chlorolactonization of various unsaturated acids under optimized conditions A) provides five‐membered chlorolactones under mild conditions.
ChemInform Abstract: Rapid Access to Halohydrofurans via Broensted Acid‐Catalyzed Hydroxylation/Halocyclization of Cyclopropyl Methanols with Water and Electrophilic Halides.
Authors: Mothe Srinivasa Reddy , Kothandaraman Prasath , Rao Weidong , Chan Philip Wai Hong
Published: June 2011

It provides a mild, straightforward, and efficient method to prepare various 3‐halohydrofurans.
ChemInform Abstract: Ethyl 3‐ and 5‐Triflyloxy‐1H‐pyrazole‐4‐carboxylates in the Synthesis of Condensed Pyrazoles by Pd‐Catalyzed Cross‐Coupling Reactions.
Authors: Arbaciauskiene Egle , Vilkauskaite Gyte , Sackus Algirdas , Holzer Wolfgang
Published: June 2011

The triflates (I) and (XI) serve as starting compounds for the synthesis of pyrazolopyridines, pyranopyrazoles, or the unexpected tetracyclic system (X).
ChemInform Abstract: A Simple Protocol for the Synthesis of 2‐Arylbenzoxazoles by Oxidation with o‐Iodoxybenzoic Acid (IBX) and Its Application in the Synthesis of Arylbenzoxazole‐Containing Amino Acids.
Authors: Chen Fei , Shen Chengjie , Yang Dan
Published: June 2011

The method is successfully extended amino acids (V) with interesting fluorescent properties.
ChemInform Abstract: Rapid Synthesis of Polyfunctionalized Pyrano[2,3‐c]pyrazoles via Multicomponent Condensation in Room‐Temperature Ionic Liquids.
Authors: Khurana Jitender M. , Nand Bhaskara , Kumar Sanjay
Published: June 2011

21 Title compounds of type (IV) or (VI) are prepared by a four‐component cyclocondensation reaction in [bmim]BF4 using L‐proline as a catalyst.
ChemInform Abstract: Simple and Efficient Method for Three‐Component Synthesis of Spirooxindoles in Aqueous and Solvent‐Free Media.
Authors: Mobinikhaledi Akbar , Foroughifar Naser , Fard Mohammad Ali Bodaghi
Published: June 2011

Several spiro compounds of type (IV), (VI), (VIII), (X) are prepared in aqueous medium from isatin (I), activated methylene compounds (II) and cyclic 1,3‐dicarbonyl compounds (III), (V), (VII), or (IX).
ChemInform Abstract: Cu(I)‐Catalyzed Domino Reactions: Efficient and Selective Synthesis of 4H‐Chromenes and Naphthalenes.
Authors: Malakar Chandi C. , Schmidt Dietmar , Conrad Juergen , Beifuss Uwe
Published: June 2011

The synthesis of chromenes (III) and (V) can also be carried out in DMA with comparable yields.
ChemInform Abstract: Synthesis of Coumestan Derivatives via FeCl3‐Mediated Oxidative Ring Closure of 4‐Hydroxy Coumarins.
Authors: Tang Lina , Pang Yongle , Yan Qiao , Shi Liuqing , Huang Jianhui , Du Yunfei , Zhao Kang
Published: June 2011

The reaction allows convenient and efficient access to a number of coumestan derivatives which are of biological interest.
ChemInform Abstract: Enantioselective Transesterification of (.+‐.)‐6‐Benzyloxy‐2,5,7,8‐tetramethyl‐3,4‐dihydro‐2H‐1‐benzopyran‐2‐ylm ethanol Catalyzed by the Amano PS Lipase in the Ionic Liquid [bmim] PF6.
Authors: Shafikov R. V. , Spivak A. Yu. , Odinokov V. N.
Published: June 2011

The chiral benzopyran ((S)‐(—)‐I) represents a key intermediate for the synthesis of α‐tocopherol and α‐tocotrienol.
ChemInform Abstract: Nickel‐Catalyzed Cycloadditions of Thiophthalic Anhydrides with Alkynes.
Authors: Inami Tasaku , Baba Yoko , Kurahashi Takuya , Matsubara Seijiro
Published: June 2011

Depending on the reaction conditions, in particular on the phosphine ligands, various sulfur‐containing heterocyclic compounds are generated.
ChemInform Abstract: Ecofriendly Synthesis of 2‐Substituted 2,3‐Dihydro‐4(1H)‐quinazolinones in Water.
Authors: Wang Min , Zhang Ting Ting , Song Zhi Guo
Published: June 2011

The process is efficient for aromatic aldehydes and ketones (IV).
ChemInform Abstract: An Efficient Route for Synthesis of 2‐Alkylamino Benzo[b]thieno[3,2‐d]pyrimidin‐4(3H)‐one.
Authors: Cao Min Hui , Xu Sheng Zhen , Chen Chang Shui
Published: June 2011

Aza‐Wittig reaction of phosphorane (I) with isocyanates (II) provide carbodiimides which react with amines to give guanidine intermediates.
ChemInform Abstract: Cyclic Products of the Ugi Reaction of Aldehydo and Keto Carboxylic Acids: Chemoselective Modification.
Authors: Tsaloev Alan , Ilyin Alexei , Tkachenko Sergey , Ivachtchenko Alexandre , Kravchenko Dmitry , Krasavin Mikhail
Published: June 2011

Based on the three‐component reaction of carboxylic acid (I) with amines and isonitriles, a synthesis of lactam amides is developed.
ChemInform Abstract: Development of a Fluorescein Analogue, TokyoMagenta, as a Novel Scaffold for Fluorescence Probes in Red Region.
Authors: Egawa Takahiro , Koide Yuichiro , Hanaoka Kenjiro , Komatsu Toru , Terai Takuya , Nagano Tetsuo
Published: June 2011

The new Si‐substituted fluorescence probe (Ia) possesses a high off/on activation ratio with a large red shift and a strong fluorescence intensity.
ChemInform Abstract: New C14‐Surfactin Methyl Ester from the Marine Bacterium Bacillus pumilus KMM 456
Authors: Zhuravleva O. I. , Afiyatullov Sh. Sh. , Ermakova S. P. , Nedashkovskaya O. I. , Dmitrenok P. S. , Denisenko V. A. , Kuznetsova T. A.
Published: June 2011

isolation, structure elucidation and cytotoxicity of the new cyclic depsipeptide (I), together with eight earlier described surfactins
ChemInform Abstract: Synthesis and Evaluation of Antitubercular Activity of New Dithiocarbamate Sugar Derivatives.
Authors: Takii Takemasa , et al. et al.
Published: June 2011

Optimization of the anti‐tubercular activity of the previously synthesized lead compound (VIb) includes the replacement of the N,N‐dimethyldithiocarbamate group by pyrrolidine dithiocarbamate and the acetyl group at C—2 by hydrogen or propyl, butyl, benzyl and oleic acid groups.
ChemInform Abstract: A Straightforward Synthetic Entry to Cleavamine‐Type Indole Alkaloids by a Ring‐Closing Metathesis—Vinyl Halide Heck Cyclization Strategy.
Authors: Bennasar M.‐Lluisa , Sole Daniel , Zulaica Ester , Alonso Sandra
Published: June 2011

The total synthesis of cleavamine (VIII) and dihydrocleavamine (IX) is completed in 10 steps via 8 isolated intermediates starting from tryptophol (I).
ChemInform Abstract: Synthesis, Antiproliferative Activity and DNA‐Binding Properties of Nitrogen and Sulfur Heterocyclic Norcantharidin Acylamide Acid.
Authors: Wang Na , Wang Yunyun , Wang Xiaoxia , Zheng Xiaoliang , Yan Dongmei , Lin Qiuyue
Published: June 2011

Among the new norcantharidin acylamide acids synthesized, compound (VII) shows the highest antiproliferative activities against human hepatoma cells SMMC7721 in vitro.
ChemInform Abstract: One‐Dimensional Inorganic Nanostructures: Synthesis, Field‐Emission and Photodetection
Authors: Zhai Tianyou , Li Liang , Ma Ying , Liao Meiyong , Wang Xi , Fang Xiaosheng , Yao Jiannian , Bando Yoshio , Golberg Dmitri
Published: June 2011

Review: 212 refs.
ChemInform Abstract: Agostic Bonds in Cyclometalation
Authors: Omae Iwao
Published: June 2011

Review: 131 refs.
ChemInform Abstract: Organometallic Soft Materials from the Ring‐Opening Polymerization of Strained Metallocenophanes and Related Species with π‐Hydrocarbon Ligands
Authors: Manners Ian
Published: June 2011

Review: about 60 refs.
ChemInform Abstract: Critical Desgin Factors for Optical Imaging with Metal Coordination Complexes
Authors: Parker David
Published: June 2011

Review: 35 refs.
ChemInform Abstract: Cumulene Rearrangements: Ketene—Ketene, Isocyanate—Isocyanate, Thioketene—Ketene, Imidoylketene—Ketenimine, and Ketene—Allene Rearrangements
Authors: Wentrup Curt , Finnerty Justin J. , Koch Rainer
Published: June 2011

Review: 85 refs.
ChemInform Abstract: Cycloaddition Reactions
Authors: Szpilman Alex M. , Carreira Erick M.
Published: June 2011

Review: 97 refs.
ChemInform Abstract: Silver Alkyls, Alkenyls, Aryls, and Alkynyls in Organic Synthesis
Authors: Pouwer Rebecca H. , Williams Craig M.
Published: June 2011

Review: 147 refs.
ChemInform Abstract: Von Richter Reaction
Authors: Hayes Martin E.
Published: June 2011

Review: 23 refs.
ChemInform Abstract: Houben—Hoesch Reaction
Authors: Mullins Richard J. , O'Reilly Matthew C.
Published: June 2011

Review: 65 refs.
ChemInform Abstract: Limitations of the s(E + N) and Related Equations: Solvent Dependence of Electrophilicity
Authors: Bentley T. William
Published: June 2011

Review: 50 refs.
ChemInform Abstract: Nucleogenic Silylium Cations and Their Analogues
Authors: Kochina Tatiana A. , Vrazhnov Dmitriy V. , Ignatyev Igor S. , Sinotova Eugenia N. , Voronkov Mikhail G.
Published: June 2011

Review: 94 refs.
ChemInform Abstract: Strategies and Perspectives in Ion‐Channel Engineering
Authors: Grosse Wolfgang , Essen Lars‐Oliver , Koert Ulrich
Published: June 2011

Review: 50 refs.
Buoyancy‐driven Mixing Studies of Natural Circulation Flows using Rossendorf Coolant Mixing Model Experiments and CFD
Authors: Höhne Thomas , Kliem Sören , Rohde Ulrich
Published: June 2011

Coolant mixing in the cold leg, downcomer and the lower plenum of pressurized water reactors is an important phenomenon mitigating the reactivity insertion into the core. Therefore, mixing of the deborated slugs with the ambient coolant in the reactor pressure vessel was investigated at the four loop 1:5‐scaled Rossendorf Coolant Mixing Model (ROCOM) mixing test facility. Thermalhydraulics analyses showed that weakly borated condensate can accumulate in particular in the pump loop seal of those loops, which do not receive safety injection. After refilling of the primary circuit, natural circulation in the stagnant loops can re‐establish simultaneously and the deborated slugs are shifted towards the reactor pressure vessel. In the ROCOM experiments, the length of the flow ramp and the initial density difference between the slugs and the ambient coolant was varied. From the test matrix experiments with 0 and 2 % density differences between the deborated slugs and the ambient coolant were used to validate the CFD software ANSYS CFX. To model the effects of turbulence on the mean flow a higher order Reynolds stress turbulence model was employed and a mesh consisting of 6.4 million hybrid elements was utilized. Only the experiments and CFD calculations with modeled density differences show stratification in the downcomer. Depending on the degree of density differences the less dense slugs flow around the core barrel at the top of the downcomer. At the opposite side the lower borated coolant is entrained by the colder safety injection water and transported to the core. The validation proves that ANSYS CFX is able to simulate appropriately the flow field and mixing effects of coolant with different densities.
Two approaches in preparation for cogeneration α‐tocopherol and biodiesel from cottonseed
Authors: Zhu Qing‐Li , Zang Lian‐Yun , Zhang Ling , Yun Zhi
Published: June 2011

A two‐step process and a direct alkaline transesterification process in preparation for cogeneration α‐tocopherol and biodiesel (fatty acid methyl esters, FAME) from cottonseeds were studied in this article. The effects of some factors on recovery of α‐tocopherol and conversion of cottonseed oil (triacylglycerols, TAGs) to biodiesel in the two processes were systematically studied by single factor experiments and orthogonal design method. In the two‐step process, α‐tocopherol and biodiesel were produced from extraction with two‐phase solvent followed by base‐catalysed transesterification. Approximately 95.5% TAGs was converted into biodiesel, and 1.008 mg/g (wet basis) α‐tocopherol was detected on the condition: 1:3 petroleum ether/methanol volume rate, 40°C extraction temperature; 7:1 methanol/cottonseed oil molar ratio, 1.1% KOH (w/v) concentration in methanol and 60°C esterification temperature. And in the direct alkaline transesterification reaction, 98.3% conversion of TAGs and 0.986 mg/g content of α‐tocopherol could be achieved at 60°C in 2 h. Both of the two processes were feasible from the economic point of view for further utilisation of cottonseed. © 2011 Canadian Society for Chemical Engineering
A practical equation of state for non‐spherical and asymmetric systems for application at high pressures. Part 2: Extension to mixtures
Authors: du Rand Marlie , Nieuwoudt Izak , Schwarz Cara E. , Knoetze Johannes H.
Published: June 2011

In part I of this series the pure component PHCT‐DNSK equation of state (EOS) was presented. In this paper the EOS is extended to describe mixtures, particularly asymmetric mixtures containing one or more low molecular weight spherical compound together with one or more high molecular weight chain‐like compound. The EOS utilises theoretically correct mixing rules and is generally able to predict the correct trends quantitatively for binary mixtures, and in most cases outperform other EOSs. With the use of a small, temperature independent, interaction parameter the EOS is able to predict the phase behaviour of the investigated systems qualitatively. The EOS is able to predict the phase behaviour of a multi‐component system containing one or more light components and a range of heavy hydrocarbons with improved accuracy compared to other EOSs at reduced computational times. © 2011 Canadian Society for Chemical Engineering
A note on the Buckingham equation
Authors: Ihle Christian F. , Tamburrino Aldo
Published: June 2011

Friction losses of the laminar flow of a Bingham plastic fluid through a pipe is characterised by a friction factor, f, which depends on two dimensionless parameters, the Reynolds and the Bingham numbers. The relationship is a fourth degree equation for f, named after Buckingham (1921). In this short communication, we present a novel expression for its only physically meaningful solution, which is easier to handle than those presented previously by other authors.
Bildung für nachhaltige Entwicklung und, Green Chemistry im Chemieunterricht
Authors: Burmeister Mareike , Jokmin Sebastian , Eilks Ingo
Published: June 2011

Seit 2005 befinden wir uns in der UN‐Weltdekade ,Bildung für nachhaltige Entwicklung (BnE)‘. Parallel dazu befindet sich der Chemieunterricht in einer Phase großer Veränderungen durch Bildungsstandards, neue Lehrpläne oder Forderungen nach veränderten Methoden. Auffällig ist aber, dass trotz der enormen Bedeutung der Chemie für eine nachhaltige Entwicklung die erziehungswissenschaftliche Reformbewegung für BnE und die Innovation des Chemieunterrichts nur wenig miteinander verzahnt sind. Dieser Aufsatz möchte hier einen Brückenschlag herstellen. Zudem beschreibt er ein WebQuest, das helfen kann, diese Verbindung auch im Chemieunterricht oder der Lehrerbildung zu thematisieren.
Outcome of Contemporary Percutaneous Coronary Intervention in the Elderly and the Very Elderly: Insights From the Blue Cross Blue Shield of Michigan Cardiovascular Consortium
Authors: Thomas Michael P. , Moscucci Mauro , Smith Dean E. , Aronow Herb , Share David , Kraft Phillip , Gurm Hitinder S. ,   for the Blue Cross Blue Shield of Michigan Cardiovascular Consortium
Published: June 2011

Background:

There is a paucity of data on the outcome of contemporary percutaneous coronary intervention (PCI) in the elderly. Accordingly, we assessed the impact of age on outcome of a large cohort of patients undergoing PCI in a regional collaborative registry.

Hypothesis:

Increasing age is associated with a higher incidence of procedural‐related complications.

Methods:

We evaluated the outcome of 152373 patients who underwent PCI from 2003 to 2008 in the 31 hospitals participating in the Blue Cross Blue Shield of Michigan Cardiovascular Consortium. The procedural outcomes of the cohort were compared by dividing patients into <70 years of age, 70 to 79 years, 80 to 84 years, 85 to 89 years, and ≥90 years.

Results:

Of the cohort, 64.64% were <70 years of age, 23.83% were 70 to 79 years, 7.85% were 80 to 84 years, 3.09% were 85 to 89 years, and 0.58% were 90 years or older. Increasing age was associated with an increase in all‐cause in‐hospital mortality, contrast‐induced nephropathy, transfusion, stroke/transient ischemic attack, and vascular complications. The overall in‐hospital mortality rate was 1.09% and increased from 0.67% in those younger than 70 years up to 5.44% in those 90 years old or greater. The mortality rate in patients over 80 years approached 12% to 15% for those with ST‐segment myocardial infarction and 39% in cardiogenic shock patients.

Conclusions:

The proportion of elderly patients referred for PCI is increasing. Procedural complications increase with age, and patients presenting with unstable symptoms are at the highest risk. © 2011 Wiley Periodicals, Inc.

This work was supported by Blue Cross Blue Shield of Michigan. The authors have no other funding, financial relationships, or conflicts of interest to disclose.
Application of Agro‐Based Biomasses for Zinc Removal from Wastewater – A Review
Authors: Kumar Jitendra , Balomajumder Chandrajit , Mondal Prejit
Published: June 2011

Zinc remediation of aqueous streams is of special concern due to its highly toxic and persistent nature. Conventional treatment technologies for the removal of zinc are not economical and further generate huge quantity of toxic chemical sludge. Biosorption is emerging as a potential alternative to the existing conventional technologies for the removal of metal ions from aqueous solutions. Mechanisms involved in the biosorption process include chemisorption, complexation, adsorption–complexation on surface and pores, ion exchange, microprecipitation, heavy metal hydroxide condensation onto the bio surface, and surface adsorption. Biosorption largely depends on parameters such as pH, the initial metal ion concentration, biomass concentration, presence of various competitive metal ions in solution, and to a limited extent on temperature. Biosorption using biomass such as agricultural wastes, industrial residues, municipal solid waste, biosolids, food processing waste, aquatic plants, animal wastes, etc., is regarded as a cost‐effective technique for the treatment of high volume and low concentration complex wastewaters containing zinc metal. Very few reviews are available where readers can get an overview of the sorption capacities of agro based biomasses used for zinc remediation together with the traditional remediation methods. The purpose of this review article is to provide the scattered available information on various aspects of utilization of the agro based biomasses for zinc metal ions removal. An extensive table summarizes the sorption capacities of various adsorbents. These biosorbents can be modified using various methods for better efficiency and multiple reuses to enhance their applicability at industrial scale. We have incorporated most of the valuable available literature on zinc removal from waste water using agro based biomasses in this review.
Dye Removal, Energy Consumption and Operating Cost of Electrocoagulation of Textile Wastewater as a Clean Process
Authors: Dalvand Arash , Gholami Mitra , Joneidi Ahmad , Mahmoodi Niyaz Mohammad
Published: June 2011

In this research, the efficiency of electrocoagulation treatment process using aluminum electrodes to treat synthetic wastewater containing Reactive Red198 (RR198) was studied. The effects of parameters such as voltage, time of reaction, electrode connection mode, initial dye concentration, electrolyte concentration, and inter electrode distance on dye removal efficiency were investigated. In addition, electrical energy consumption, electrode consumption, and operating cost at optimum condition have been investigated. The results showed that dye and chemical oxygen demand removals were 98.6 and 84%, respectively. Electrode consumption, energy consumption and operating cost were 0.052 kg/m3, 1.303 kWh/m3 and 0.256 US$/m3, respectively. Dye removal kinetic followed first order kinetics. It can be concluded that electrocoagulation process by aluminum electrode is very efficient and clean process for reactive dye removal from colored wastewater.
The Positive Effects of Nanoclay on the Hydraulic Conductivity of Compacted Kahrizak Clay Permeated With Landfill Leachate
Authors: Kananizadeh Negin , Ebadi Taghi , Khoshniat Seyed Alireza , Mousavirizi Seyed Ehsan
Published: June 2011

This study evaluates the effect of nanoclay on permeability, swelling, compressive strength, and cation exchange capacity of a compacted Kahrizak landfill clay liner. The results show that 4% nanoclay significantly reduces permeability (3 × 10−9 to 7.74 × 10−11 cm/s in neutral, 3.66 × 10−9 to 7.9 × 10−10 cm/s in acidic, and 3.25 × 10−9 to 5.24 × 10−10 cm/s in alkaline condition), and increases compressive strength (by 36.28%) and the percentage of swelling (from 16.67 to 41.82, 23.33 to 45.45, and 15 to 38.18 at pH 7, 4.8, and 9, respectively) compare to raw clay samples. Moreover, the results of cation exchange capacity tests show that adding 4% nanoclay to the Kahrizak clay, permeated with landfill leachate, helps the sample maintain its mono‐valent ions between layers and remains dispersed. The results of SEM and XRD analyses show that by adding nanoclay, nanoclay clusters are formed in the sample; as a result, the interlayer spacing decreases which makes it remain dispersed. XRF analyses also demonstrate that by adding nanoclay to the mixture, the permeability and therefore, the amount of heavy metals which can penetrate into it decreases. The results justify the construction of clay barriers with nanoclay in order to prevent leachate penetration, and consequently reduce the operation costs.
Strategies for Successful ANAMMOX Enrichment at Laboratory Scale
Authors: Uyanik Sinan , Bekmezci Ozan K. , Yurtsever Adem
Published: June 2011

Studies on anaerobic ammonium oxidation (ANAMMOX) have been increasing due to its advantages over traditional nitrification–denitrification systems. However, long and difficult start‐up periods of ANAMMOX reactors may sometimes be frustrating for researchers dealing with them first time in the lab. Therefore, a guide for starting up ANAMMOX reactors will greatly help them and enhance the use of this technology. Three trials, each has three reactors, have been carried out to reach successful start up in this study. An expected ANAMMOX enrichment could not be achieved in the first and second trials. Under the light of the experiences gained from the unsuccessful ones, the third trial resulted in >95% ammonium removals within 20–50 days. It is possible to startup or to enrich ANAMMOX reactors within 50 days by presented strategy guide.
Characterization of the gene structure, functional significance, and clinical application of RNF180, a novel gene in gastric cancer
Authors: Cheung Kin‐Fai , Lam Cleo N. Y. , Wu Kaichun , Ng Enders K. O. , Chong Wilson W. S. , Cheng Alfred S. L. , To Ka‐Fai , Fan Daiming , Sung Joseph J. Y. , Yu Jun
Published: June 2011

BACKGROUND:

By using genome‐wide methylation screening, the authors identified ring finger protein 180 (RNF180) as preferentially methylated in cancer. This study was undertaken to clarify its structure and functional role in gastric cancer.

METHODS:

The transcription start site and core functional promoter region of RNF180 were revealed by 5′ rapid amplification of cDNA ends and luciferase activity assays. Promoter methylation was detected by combined bisulfite restriction analysis and bisulfite genomic sequencing. Cell growth was detected by colony formation assay, apoptosis by annexin V assay, and RNF180 target genes by cDNA microarray.

RESULTS:

The authors revealed the transcription start site of RNF180 gene and identified the functional core promoter region (−202/+372) in the CpG island, which could be silenced by in vitro methylation assay. RNF180 was silenced in 6 of 7 gastric cancer cell lines and significantly down‐regulated in primary gastric cancers compared with adjacent normal tissues (P = .001). Loss of gene expression was associated with promoter methylation. Re‐expression of RNF180 suppressed cell growth (P < .001) and induced apoptosis (P < .05), which were mediated by up‐regulating the antiproliferation regulators MTSS1 and CDKN2A and the proapoptotic mediator TIMP3. Promoter methylation of RNF180 was detected in 76% (150 of 198) of primary gastric cancers and 55% (11 of 20) of intestinal metaplasia, but in none of 23 normal gastric tissues. Methylated RNF180 DNA was detected in the plasma of 56% of gastric cancer patients, but not in healthy controls (P = .003). Patients with low or loss of RNF180 expression had significantly poorer overall survival.

CONCLUSIONS:

RNF180 is a novel potential tumor suppressor in gastric carcinogenesis and has potential clinical utility as a biomarker for gastric cancer patients. Cancer 2012;. © 2011 American Cancer Society.
The impact of kidney function on the outcome of metastatic renal cell carcinoma patients treated with vascular endothelial growth factor‐targeted therapy
Authors: Macfarlane Robyn , Heng Daniel Y. C. , Xie Wanling , Knox Jennifer J. , McDermott David F. , Rini Brian I. , Kollmannsberger Christian , Choueiri Toni K.
Published: June 2011

BACKGROUND:

A study was undertaken to investigate the effect of baseline renal function on treatment outcome in patients treated with vascular endothelial growth factor (VEGF)‐targeted therapy for metastatic renal cell carcinoma (mRCC).

METHODS:

Retrospective data from 6 North American cancer centers (3 US and 3 Canadian) were pooled to identify patients with mRCC treated with VEGF‐targeted therapy. Patient characteristics, response rate, time to treatment failure, and overall survival were collected. The Modification of Diet in Renal Disease formula was used at therapy initiation for calculation of glomerular filtration rate (GFR).

RESULTS:

Five hundred twenty‐nine patients with mRCC who received sunitinib (n = 323), sorafenib (n = 165), or bevacizumab (n = 41) were included in this analysis. Patient characteristics included: 74% male, median age 61 years, and median GFR 60.1 mL/min/1.73 m2 (range, 6.5‐174.2). On univariate analysis, patients with a GFR <60 (n = 262) were more likely to have had a previous nephrectomy (P < .0001) and to be older (P < .0001), but were less likely to have poor prognostic features such as anemia (P = .041), hypercalcemia (P = .008), neutrophilia (P = .039), thrombocytosis (P < .0001), short diagnosis to treatment interval (P = .007), and low Karnofsky performance status (P = .051). GFR <60, when adjusted for poor risk factors, did not have an impact on type of objective response (odds ratio, 1.31; 95% confidence interval [CI], 0.74‐2.32; P = .359), time to treatment failure (hazard ratio [HR], 0.97; 95% CI, 0.79‐1.19; P = .772), or overall survival (HR, 0.90; 95% CI, 0.69‐1.17; P = .439).

CONCLUSIONS:

Renal function at therapy initiation does not adversely affect the efficacy of VEGF‐targeted therapy in mRCC. Clinicians should not avoid treating patients with impaired baseline renal function. Cancer 2011;. © 2011 American Cancer Society.
Genetic variants of the nonhomologous end joining gene LIG4 and severe radiation pneumonitis in nonsmall cell lung cancer patients treated with definitive radiotherapy
Authors: Yin Ming , Liao Zhongxing , Liu Zhensheng , Wang Li‐E , O'Reilly Michael , Gomez Daniel , Li Minghuan , Komaki Ritsuko , Wei Qingyi
Published: June 2011

BACKGROUND:

Nonhomologous end joining (NHEJ) is a pathway that repairs DNA double‐strand breaks (DSBs) to maintain genomic stability in response to irradiation. The authors hypothesized that single nucleotide polymorphisms (SNPs) in NHEJ repair genes may affect clinical outcomes in patients with nonsmall cell lung cancer (NSCLC) who receive definitive radio(chemo)therapy.

METHODS:

The authors genotyped 5 potentially functional SNPs—x‐ray repair complementing defective repair in Chinese hamster cells 4 (XRCC4) reference SNP (rs) number rs6869366 (−1394 guanine to thymine [−1394G→T] change) and rs28360071 (intron 3, deletion/insertion), XRCC5 rs3835 (guanine to adenine [G→A] change at nucleotide 2408), XRCC6 rs2267437 (−1310 cytosine to guanine [C→G) change], and DNA ligase IV (LIG4) rs1805388 (threonine‐to‐isoleucine change at codon 9 [T9I])—and estimated their associations with severe radiation pneumonitis (RP) (grade ≥3) in 195 patients with NSCLC.

RESULTS:

A predictive role in radiation pneumonitis (RP) development was observed for the LIG4 SNP rs1805388 (adjusted hazard ratio, 2.08; 95% confidence interval, 1.04‐4.12; P = .037 for the CT/TT genotype vs the CC genotype). In addition, men with the TT genotype of the XRCC4 rs6869366 SNP and women with AG + AA genotypes of the XRCC5 rs3835 SNP also were at increased risk of developing severe RP.

CONCLUSIONS:

The current results indicated that NHEJ genetic polymorphisms, particularly LIG4 rs1805388, may modulate the risk of RP in patients with NSCLC who receive definitive radio(chemo)therapy. Large studies will be needed to confirm these findings. Cancer 2011;. © 2011 American Cancer Society.
Early stage squamous cell cancer of the oral tongue—clinicopathologic features affecting outcome
Authors: Ganly Ian , Patel Snehal , Shah Jatin
Published: June 2011

BACKGROUND:

The objective of this study was to report the authors' experience in the management of patients with early stage squamous cell cancer (SCC) of the oral tongue and determine clinicopathologic factors predictive of outcome.

METHODS:

Two hundred sixteen patients with early stage (cT1T2N0) SCC of the oral tongue were identified from a pre‐existing database of patients with oral cancer who were treated at Memorial Sloan‐Kettering Cancer Center from 1985 to 2005. Patient, tumor, and treatment characteristics were recorded. Overall survival (OS), disease‐specific survival (DSS), and recurrence free survival (RFS) were calculated using the Kaplan‐Meier method. Predictors of outcome were identified using multivariate analysis.

RESULTS:

With a median follow‐up of 80 months (range, 1‐186 months), the 5‐year DSS, OS, and RFS rates were 86%, 79%,and 70%, respectively. Local, neck, and distant recurrences occurred in 24 patients (11%), 40 patients (18%), and 5 patients (2%), respectively. Multivariate analysis identified occult neck metastases as the main independent predictor of OS, DSS, and RFS; patients who had occult metastases had a 5‐fold increased risk of dying of disease compared with patients who did not have occult metastases (5‐year DSS, 85.5% vs 48.5%; P = .001). A positive surgical margin was the main independent predictor for local RFS (91% vs 66% for a negative surgical margin; P = .0004), and depth of invasion was the main predictor for neck RFS (91% vs 73% for depth of invasion <2 mm and >2 mm, respectively; P = .02).

CONCLUSIONS:

In the authors' experience, patients with early stage oral tongue cancer have excellent outcomes. In the current study, the presence of occult metastases was the main predictor of survival outcome. Cancer 2012;. © 2011 American Cancer Society.
Conflict of interest in oncology publications
Authors: Kesselheim Aaron S. , Lee Joy L. , Avorn Jerry , Servi Amber , Shrank William H. , Choudhry Niteesh K.
Published: June 2011

BACKGROUND:

Disclosure of conflicts of interest in biomedical research is receiving increased attention. The authors sought to define current disclosure policies and how they relate to disclosure statements provided by authors in major oncology journals.

METHODS:

The authors identified all oncology journals listed in the Thomson Institute for Scientific Information and sought their policies on conflict‐of‐interest disclosure. For a subset of journals with an Impact Factor >2.0, they catalogued the number and type of articles and the details of the published disclosures in all papers from the 2 most recent issues.

RESULTS:

Disclosure policies were provided by 112 of 131 journals (85%); 99 (88%) of these requested that authors disclose conflicts of interest (mean Impact Factor for these journals: 4.6), whereas the remaining 13 (12%) did not (mean Impact Factor: 2.9). Ninety‐three journals (94%) required financial disclosure, and 42 (42%) also sought nonfinancial disclosures. For a subset of 52 higher‐impact journals (Impact Factor >2.0), we reviewed 1734 articles and identified published disclosures in 51 journals (98%). Many of these journals (31 of 51, 61%) included some disclosure statement in >90% of their articles. Among 27 journals that published editorials/commentaries, only 14 (52%) included disclosures with such articles. There was no publication of any nonfinancial conflicts of interest in any article reviewed.

CONCLUSIONS:

Disclosure policies and the very definition of conflict of interest varied considerably among journals. Although most journals had some policy in this area, a substantial proportion did not publish disclosure statements consistently, with deficiencies particularly among editorials and commentaries. Cancer 2012;. © 2011 American Cancer Society.