bluuebunny/crossref_metadata_2025 huggingface dataset:
Multimodal structure of baroclinic tides in the South China Sea
Authors: Vlasenko V. , Stashchuk N. , Guo C. , Chen X.
Published: October 2010

Abstract. The modelling of baroclinic tides generated in the northern South China Sea is studied using a fully-nonlinear non-hydrostatic numerical model. The focus of the modelling efforts was on the vertical structure of internal waves in the vicinity of the Luzon Strait. The barotropic tidal flow interacting with a two-ridge bottom topography in the area of the Luzon Strait produces a complex baroclinic tidal signal. A multimodal baroclinic bore with counter-phase displacement of isopycnals generated over the ridges and propagating westward disintegrates into a series of large-amplitude solitary internal waves. The leading first-mode solitary wave of depression is followed by a second mode solitary wave coupled with a packet of short-scale internal waves riding it. Scrutiny of the characteristics of the both wave forms, i.e. the carrier second-mode solitary wave and the packet of short waves, revealed that the short-scale waves are basically concentrated in the upper 500 m layer and attenuate exponentially below it. The short waves exist only thanks to a specific structure of horizontal velocity produced by the second-mode solitary wave. Having equal phase speeds and propagating together for a long distance, this coupled system produces quite a remarkable signal at the free surface, which can be detected by means of remote sensing technique. It was found in a series of sensitivity experiments that the eastern ridge is responsible for the generation of progressive first-mode tidal waves disintegrated into packets of first-mode ISWs. The western ridge produces quite a strong higher-mode signal. The waves generated over the eastern and western ridges interfere in the near-field, and their nonlinear superposition enhances the multimodal signal in the whole domain.
Snapshot observation of the physical structure and stratification in deep-water of the South Caspian Sea (western part)
Authors: Ghaffari P. , Lahijani H. A. , Azizpour J.
Published: October 2010

Abstract. The physical parameters structures and different water masses using CTD measurements in southwestern part of the Caspian Sea (CS) adjacent to Anzali Port (AP) are investigated. CTD profiles were conducted along a transect perpendicular to the coastline on 13 stations from the coast down to 720 m on 22 January 2008. According to the results the continental shelf waters are located in the surface mixed layer. The surface mixed layer extends itself down to almost 100 m in outer areas of the continental shelf with a weak seasonal thermocline layer between 80 to 140 m Freshwaters inflow of local rivers is clearly seen outside the continental shelf at the surface layers. Investigating the dissolved oxygen reveals that winter convection is traceable down to 500 m in the lateral waters over the shelf break. Among the deeper stations that are located in continental rise and abyssal plain, 300 m seems to be a threshold for penetration of seasonal changes; therefore deeper waters tend to be impermeable against seasonal variances. Despite the small variations, stability is positive in the study area and temperature plays an important role in static stability and in triggering the lateral mixing. In view of both temperature-salinity and temperature-oxygen distributions in the southwestern part of the CS, two different water masses are separable in cold phase. Snapshot observations of physical properties in the early winter 2008, to some extent revealed that a mixing was triggered at least in the lateral waters of the study area.
Regulatory Effect of Peptidoglycan on the Expression of Toll-Like Receptor 2 mRNA and Proteins in Trophoblast Cell Line TEV-1 Cells
Authors: Wang Yi , Luo Xi-Ping , Lim Chi Eung Danforn , Wong Wu Shun Felix , Zhong Gang
Published: October 2010

Objective. To investigate the regulatory effect of peptidoglycan on the expression of human Toll-like receptors 2 (TLR2) mRNA and proteins in the human extravillous trophoblast cell line (TEV-1). Methods. TEV-1 cells were incubated with different doses of peptidoglycan. The expression of TLR2 mRNA and protein was detected by reverse transcriptase-polymerase chain reaction (RT-PCR) and immunocytochemistry SP staining.
Results. TLR2 was expressed in TEV-1 cells and localized to both the cytoplasm and plasma membrane. Compared with the untreated control, TEV-1 cells incubated with 30 g/ml peptidoglycan significantly upregulated the expression of TLR2 mRNA and protein after 12 hours of treatment (). However, the expression of TLR2 mRNA and protein was decreased but had no significant difference compared with the control () after 24 hours of treatment. On the other hand, 10 g/ml peptidoglycan did not seem to have regulatory effect on mRNA and protein expression of TLR2 (). Conclusion. Peptidoglycan has a role in regulating the expression of TLR2 mRNA and protein in TEV-1 cells. It suggests that the trophoblast cells may play important role in the immune response at the fetal-maternal interface and affect the result of pregnancy by expressing TLR2.
Silicon Nanowires for Photovoltaic Solar Energy Conversion
Authors: Peng Kui‐Qing , Lee Shuit‐Tong
Published: October 2010

Semiconductor nanowires are attracting intense interest as a promising material for solar energy conversion for the new‐generation photovoltaic (PV) technology. In particular, silicon nanowires (SiNWs) are under active investigation for PV applications because they offer novel approaches for solar‐to‐electric energy conversion leading to high‐efficiency devices via simple manufacturing. This article reviews the recent developments in the utilization of SiNWs for PV applications, the relationship between SiNW‐based PV device structure and performance, and the challenges to obtaining high‐performance cost‐effective solar cells.
Fundamentals‐based low‐dimensional combustion modeling of spark‐ignited internal combustion engines
Authors: Kumar Pankaj , Franchek Matthew , Grigoriadis Karolos , Balakotaiah Vemuri
Published: October 2010

A four‐mode low‐dimensional model for the in‐cylinder combustion process in an internal combustion engine is developed. The lumped parameter ordinary differential equation model is based on two mixing times that capture the reactant mixing limitations inside the cylinder and mixing limitations caused by the input and exit stream distribution. For a given inlet and operating conditions, the model predicts the exhaust composition of regulated gases (total unburned HCs, CO, and NOx) as well as the in‐cylinder pressure and temperature. The model is able to capture the qualitative trends observed with change in fuel composition (gasoline and ethanol blending), air/fuel ratio, spark timing, engine load, and speed. The results show good qualitative and fair quantitative agreement with the experimental results published in the literature and demonstrate the possibility of such low‐dimensional model for real‐time control. Improvements and extensions to the model are discussed. © 2010 American Institute of Chemical Engineers AIChE J, 2011
Flexible heat exchanger network design for low‐temperature heat utilization in oil refinery
Authors: Lai Sau Man , Wu Hao , Hui Chi Wai , Hua Ben , Zhang Gaobo
Published: October 2010

Oil refinery is an energy‐intensive industry. To reduce the utility cost, there is an increasing need to utilize low‐temperature heat available in the system. The use of heat exchanger network (HEN) can facilitate this low‐temperature heat utilization. Normally, in a refinery, a good design of low‐temperature HEN can reduce the energy cost by 10–15%. During the operation, process conditions may alter at different periods. To ensure feasible operation and avoid deprivation of the system's economics, a flexible HEN design is essential. However, flexibility consideration to handle process parameter deviations has not yet been discussed for the low‐temperature HEN design. In this study, a systematic approach considering both process flexibility and system economics is proposed and demonstrated through a case study. Copyright © 2010 Curtin University of Technology and John Wiley & Sons, Ltd.
Synthesis and characterization of polyaniline/carbon nanotube composites
Authors: Ghatak S. , Chakraborty G. , Meikap A. K. , Woods T. , Babu R. , Blau W. J.
Published: October 2010

The synthesis of polyaniline (PANI) containing different carbon nanotubes (CNTs) by in situ polymerization is reported in this study. The samples were characterized by X‐ray diffraction and scanning electron microscopy. Fourier transform infrared and ultraviolet–visible spectroscopy were used to determine the change in structure of the polymer/CNT composites. Thermogravimetric analysis showed that the composites had better thermal stability than the pure PANI. Photoluminescence spectra showed a blueshift in the PANI–single‐walled nanotube (SWNT) composite. Low‐temperature (77–300 K) electrical transport properties were measured in the absence and presence of a magnetic field up to 1 T. Direct‐current conductivity exhibited a nonohmic, three‐dimensional variable range hopping mechanism. The room‐temperature magnetoconductivity of all of the investigated samples except the PANI–SWNT composite were negative; however, it was positive for the PANI–SWNT composite, and its magnitude decreased with increasing temperature. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
Fatty acid‐based comonomers as styrene replacements in soybean and castor oil‐based thermosetting polymers
Authors: Campanella Alejandrina , Scala John J. La , Wool R. P.
Published: October 2010

In this study, a fatty acid‐based comonomer is employed as a styrene replacement for the production of triglyceride‐based thermosetting resins. Styrene is a hazardous pollutant and a volatile organic compound. Given their low volatility, fatty acid monomers, such as methacrylated lauric acid (MLA), are attractive alternatives in reducing or eliminating styrene usage. Different triglyceride‐derived cross‐linkers resins were produced for this purpose: acrylated epoxidized soybean oil (AESO), maleinated AESO (MAESO), maleinated soybean oil monoglyceride (SOMG/MA) and maleinated castor oil monoglyceride (COMG/MA). The mechanical properties of the bio‐based polymers and the viscosities of bio‐based resins were analyzed. The viscosities of the resins using MLA were higher than that of resins with styrene. Decreasing the content of MLA increased the glass transition temperature (Tg). In fact, the Tg of bio‐based resin/MLA polymers were on the order of 60°C, which was significantly lower than the bio‐based resin/styrene polymers. Ternary blends of SOMG/MA and COMG/MA with MLA and styrene improved the mechanical properties and reduced the resin viscosity to acceptable values. Lastly, butyrated kraft lignin was incorporated into the bio‐based resins, ultimately leading to improved mechanical properties of this thermoset but with unacceptable increases in viscosity. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2011
The illusion of the framing effect in risky decision making
Authors: Okder Hidetaka
Published: October 2010

The present study elucidates that the illusion of framing in risky decisions is induced by the expected losses with the shift of independent or complementary schemata. Throughout three studies, the reversal of risk preferences in the gain and loss frames was confirmed when the expected number of losses was unknown. When it was known, however, the reversal was reduced in Study 2 where the decision makers were informed of all the options in both frames, and eliminated in Study 3 where they elaborated the numbers of lives at stake before making decisions. Further, the complementary schema was more pervasive when the number of expected losses was known, while the independent schema was more common when the number was unknown. These results imply that the illusion of framing is due to the shift of schemata concerning the lives saved and lost. Copyright © 2010 John Wiley & Sons, Ltd.
Cooperative, Heparan Sulfate‐Dependent Cellular Uptake of Dimeric Guanidinoglycosides
Authors: Dix Andrew V. , Fischer Lucile , Sarrazin Stéphane , Redgate Christopher P. H. , Esko Jeffrey D. , Tor Yitzhak
Published: October 2010

Oligoarginine and guanidinium‐rich molecular transporters have been shown to facilitate the intracellular delivery of a diverse range of biologically relevant cargos. Several such transporters have been suggested to interact with cell‐surface heparan sulfate proteoglycans as part of their cell‐entry pathway. Unlike for other guanidinium‐rich transporters, the cellular uptake of guanidinoglycosides at nanomolar concentrations is exclusively heparan sulfate dependent. As distinct cells differ in their expression levels and/or the composition of cell‐surface heparan sulfate proteoglycans, one might be able to exploit such differences to selectively target certain cell types. To systematically investigate the nature of their cell‐surface interactions, monomeric and dimeric guanidinoglycosides were synthesized by using neomycin, paromomycin, and tobramycin as scaffolds. These transporters differ in the number and 3D arrangement of their guanidinium groups. Their cellular uptake was measured by flow cytometry in wild‐type and mutant Chinese hamster ovary cells after the corresponding fluorescent streptavidin–phycoerythrin‐Cy5 conjugates had been generated. All derivatives showed negligible uptake in mutant cells lacking heparan sulfate. Decreasing the number of guanidinium groups diminished uptake, but the three dimensional arrangement of these groups was less important for cellular delivery. Whereas conjugates prepared with the monomeric carriers showed significantly reduced uptake in mutant cells expressing heparan sulfate chains with altered patterns of sulfation, conjugates prepared with the dimeric guanidinoglycosides could overcome this deficiency and maintain high levels of uptake in such deficient cells. This finding suggests that cellular uptake depends on the valency of the transporter and both the content and arrangement of the sulfate groups on the cell‐surface receptors. Competition studies with chemically desulfated or carboxy‐reduced heparin derivatives corroborated these observations. Taken together, these findings show that increasing the valency of the transporters retains heparan sulfate specificity and provides reagents that could distinguish different cell types based on the specific composition of their cell‐surface heparan sulfate proteoglycans.
Weapons in Disguise—Activating Mechanisms and Protecting Group Chemistry in Nature
Authors: Kwan Jason C. , Luesch Hendrik
Published: October 2010

Bioactive natural products often possess uniquely functionalized structures with unusual modes of action; however, the natural product itself is not always the active species. We discuss molecules that draw on protecting group chemistry or else require activation to unmask reactive centers, illustrating that nature is not only a source of complex structures but also a guide for elegant chemical transformations which provides ingenious chemical solutions for drug delivery.
Activation and Deactivation by Temperature: Behavior of Ph2PN(iPr)P(Ph)N(iPr)H in the Presence of Alkylaluminum Compounds Relevant to Catalytic Selective Ethene Trimerization
Authors: Peitz Stephan , Peulecke Normen , Aluri Bhaskar R. , Müller Bernd H. , Spannenberg Anke , Rosenthal Uwe , Al‐Hazmi Mohammed H. , Mosa Fuad M. , Wöhl Anina , Müller Wolfgang
Published: October 2010

Coordination, deprotonation, rearrangement, and cleavage of Ph2PN(iPr)P(Ph)N(iPr)H (1) by trialkylaluminum compounds R3Al (R=Me, Et) are reported that are relevant to the selective ethene trimerization system consisting of the ligand 1, CrCl3(THF)3 and Et3Al that produces 1‐hexene in more than 90 % yield and highest purity. With increasing temperature and residence time first the formation of an adduct [Ph2PN(iPr)P(Ph)N(iPr)H][AlR3] (2), second the aluminum amide [Ph2PN(iPr)P(Ph)(AlR3)N(iPr)][AlR2] (3) and third its rearrangement to the cyclic compound [N(iPr)P(Ph)P(Ph2)N(iPr)][AlR2] (4) were observed. The cleavage of 3 by an excess of R3Al into an amidophosphane and an iminophosphane could be the reason for its rearrangement to complex 4, as well as to the cyclic dimer [R2AlN(iPr)P(Ph)2]2 (5). The chemistry of ligand 1 in the presence of alkylaluminum compounds gives hints on possible activation and deactivation mechanisms of 1 in trimerization catalysis.
ChemInform Abstract: BaNi2Ge and Ca4Ni4Ge3 — Two Layered Structures with 2∞[Ni4Ge] and 2∞[Ni4Ge3] Networks.
Authors: Siggelkow Lisa , Hlukhyy Viktor , Faessler Thomas F.
Published: October 2010

The title compounds, obtained from stoichiometric melts of the elements, are characterized by powder and single crystal XRD, and TB‐LMTO‐ASA electronic structure calculations.
ChemInform Abstract: The Metastable m‐Ba2SnSe5 — Synthesis, Phase Transition, Crystal Structure, Structural Relations and Electronic Structure.
Authors: Graf Christian , Assoud Abdeljalil , Zelinska Mariya , Kleinke Holger
Published: October 2010

Crystals of a new modification of Ba2SnSe5 are synthesized from a stoichiometric mixture of the elements using a LiCl/KCl flux (770 K, 48 h) and characterized by single crystal XRD and DFT electronic structure calculations.
ChemInform Abstract: Two Ta2O5‐Rich Alkali‐Metal Lanthanide(III) Oxotantalates(V): K2LaTa5O15 and NaTm2Ta15O41.
Authors: Janka Oliver , Mueller‐Bunz Helge , Schleid Thomas
Published: October 2010

Colorless single crystals of K2LaTa5O15 (I) and NaTm2Ta15O41 (II) are prepared in oxygen‐contaminated Ta containers (wall reaction) from either LaF3 in a KF/LiF flux (600 °C, 7 d) or from TmF3 and B2O3 in a CsF/NaF flux.
ChemInform Abstract: Facile Domino Access to Chiral Bicyclo[3.2.1]octanes and Discovery of a New Catalytic Activation Mode.
Authors: Tan Bin , Lu Yunpeng , Zeng Xiaofei , Chua Pei Juan , Zhong Guofu
Published: October 2010

A variety of medicinally important target bridged compounds with four stereogenic centers, two of which are quaternary, is prepared with high yields and enantioselectivities.
ChemInform Abstract: Chiral Iridium(I) Bis(NHC) Complexes as Catalysts for Asymmetric Transfer Hydrogenation.
Authors: Diez Claus , Nagel Ulrich
Published: October 2010

New chiral iridium‐bis(NHC) complexes are synthesized, in which both imidazole rings are differently substituted to form the chiral environment of the iridium center.
ChemInform Abstract: C—N Bond Formation Catalyzed by CuI Bonded to Polyaniline Nanofiber.
Authors: Arundhathi Racha , Kumar Desitti Chaitanya , Sreedhar Bojja
Published: October 2010

A supported cuprous iodide catalyst is prepared and used as catalyst for the N‐arylation of aliphatic, aromatic, and heterocyclic amines with aryl iodides at ambient temperature and aryl chlorides at 80°C.
ChemInform Abstract: Polymeric Ethyl Glyoxylate in an Asymmetric Aldol Reaction Catalyzed by Diarylprolinol.
Authors: Urushima Tatsuya , Yasui Yusuke , Ishikawa Hayato , Hayashi Yujiro
Published: October 2010

An asymmetric, direct aldol reaction of ethyl glyoxylate and aldehydes is catalyzed by diarylprolinol to afford synthetically useful β‐ethoxycarbonyl‐β‐hydroxy aldehydes, which are isolated as α,β‐unsaturated esters or dimethyl acetals.
ChemInform Abstract: Melamine Sulfonic Acid: A Recoverable Catalyst for the Ecofriendly Synthesis of Thiocyanohydrins under Solvent‐Free Conditions.
Authors: Kiasat Ali Reza , Fallah‐Mehrjardi Mehdi
Published: October 2010

Thiocyanohydrins are efficiently and regioselectively obtained by ring opening of epoxide under solvent‐free conditions using the solid acid catalyst melamine sulfonic acid.
ChemInform Abstract: Creation of Quaternary Stereogenic Centers via Copper‐Catalyzed Asymmetric Conjugate Addition of Alkenyl Alanes to α,β‐Unsaturated Cyclic Ketones.
Authors: Mueller Daniel , Hawner Christine , Tissot Matthieu , Palais Laetitia , Alexakis Alexandre
Published: October 2010

Optimized conditions are elaborated for the addition of alanes (II) to cyclohexenone (I).
ChemInform Abstract: The Palladium‐Catalyzed Trifluoromethylation of Aryl Chlorides.
Authors: Cho Eun Jin , Senecal Todd D. , Kinzel Tom , Zhang Yong , Watson Donald A. , Buchwald Stephen L.
Published: October 2010

A wide range of (het)aryl chlorides (I) successfully undergoes Pd‐catalyzed trifluoromethylation under relatively mild conditions.
ChemInform Abstract: Synthesis of 2‐Arylethylamines by the Curtius Rearrangement.
Authors: Schulze Matthias
Published: October 2010

Novel chemical syntheses of amphetamines (V), (VIII) and (XV) as well as wescaline (XI) using the Curtius rearrangement as key reaction are developed.
ChemInform Abstract: Lithium Pipecolinate as a Facile and Efficient Ligand for Copper‐Catalyzed Hydroxylation of Aryl Halides in Water
Authors: Jing Linhai , Wei Jiangtao , Zhou Li , Huang Zhiyong , Li Zhengkai , Zhou Xiangge
Published: October 2010

26 examples
ChemInform Abstract: A Novel Direct Boron‐Mediated Synthesis of Cinnamic Acids from Aromatic Aldehydes and Aliphatic Carboxylic Acids.
Authors: Chiriac Constantin I. , Tanasa Fulga , Nechifor Marioara
Published: October 2010

Lithium tetraborate, generated in situ from Na2B4O7 and LiCl, proves to be an unexpectedly efficient reagent for the direct synthesis of cinnamic acids (III) (8 examples) from aldehydes (II) and carboxylic acids (I).
ChemInform Abstract: Efficient Procedure for Beckmann Rearrangement of Ketoximes Catalyzed by Sulfamic Acid/Zinc Chloride.
Authors: Li Ji‐Tai , Meng Xian‐Tao , Yin Ying
Published: October 2010

A variety of ketoximes (I) reacts to the corresponding amides (II) under optimized and mild conditions.
ChemInform Abstract: Highly Efficient Syntheses of β‐Cyanoketones via Conjugate Addition of Me3SiCN to Aromatic Enones.
Authors: Yang Jingya , Chen Fuxue
Published: October 2010

The CsF‐catalyzed reaction yields cyanoketones (III) in excellent yields and with perfect regioselectivity, probably due to H2O‐facilitated reversion of the 1,2‐adduct in the presence of CsF and subsequent irreversible 1,4‐addition.
ChemInform Abstract: NHC—Iron‐Catalyzed Aerobic Oxidative Aromatic Esterification of Aldehydes Using Boronic Acids.
Authors: Rosa Joao N. , Reddy R. Sudarshan , Candeias Nuno R. , Cal Pedro M. S. D. , Gois Pedro M. P.
Published: October 2010

An aerobic oxidative aromatic esterification tolerates a wide range of functional groups but is sensitive to the ortho‐substitution [cf.
ChemInform Abstract: Ascorbate Mediated Copper Catalyzed Reductive Cross‐Coupling of Disulfides with Aryl Iodides.
Authors: Martinek Marek , Korf Michal , Srogl Jiri
Published: October 2010

Sodium ascorbate is presented as a mild and environmentally benign reducing agent to keep the metal catalyst in the title reaction in its reduced, active form.
ChemInform Abstract: Iron‐Catalyzed Michael Reactions Revisited: A Synthetically Useful Process for the Preparation of Tri‐Carbonyl Compounds and Chiral Warfarin.
Authors: Yang Hua‐Meng , Gao Yue‐Hua , Li Li , Jiang Zhen‐Yu , Lai Guo‐Qiao , Xia Chun‐Gu , Xu Li‐Wen
Published: October 2010

The reaction of 1,3‐dicarbonyl compounds with chalcones is investigated in the presence of FeCl3.
ChemInform Abstract: Flow‐Vacuum Pyrolysis of Polycyclic Compounds. Part 28. Pyrolysis of 1a,2,2a,6b,7,7a‐Hexahydro‐1β‐ (hydroxymethyl)‐2,7‐methano‐cyclo‐propa[b]biphenylene.
Authors: Olteanu Emilia , Popescu Angela , Draghici Constantin , Ciuculescu Crinu
Published: October 2010

Flow‐vacuum pyrolysis of the bridged title compound (I) at 800 °C and 1 torr affords the two new alcohols (II) and (III).
ChemInform Abstract: A Stable Heptacene Derivative Substituted with Electron‐Deficient Trifluoromethylphenyl and Triisopropylsilylethynyl Groups.
Authors: Qu Hemi , Chi Chunyan
Published: October 2010

Compound (I) represents the most stable heptacene known which persists 47h in solution under ambient light in the presence of air.
ChemInform Abstract: Synthesis, Characterization, in vitro and Molecular Docking Studies of New 2,5‐Dichloro Thienyl Substituted Thiazole Derivatives for Antimicrobial Properties.
Authors: Sarojini Balladka Kunhanna , Krishna Bettadapura Gundappa , Darshanraj Chenna Govindaraju , Bharath Basavapattana Rudresh , Manjunatha Hanumanthappa
Published: October 2010

The new compounds (IV), containing a dichlorothienyl‐substituted thiazole ring system, which resemble a known antifungal agent are screened for antifungal and antibacterial activities.
ChemInform Abstract: Efficient Tetrahydropyranyl and Tetrahydrofuranyl Protection/Deprotection of Alcohols and Phenols with Al(OTf)3 as Catalyst.
Authors: Williams D. Bradley G. , Simelane Sandile B. , Lawton Michelle , Kinfe Henok H.
Published: October 2010

Effective protection and deprotection is achieved for a wide range of alcohols and phenols using the same catalytic system and only changing CH2Cl2 as a solvent for protection to MeOH for deprotection.
ChemInform Abstract: Diastereoselective Access to Enantiomerically Pure cis‐2,3‐Disubstituted Pyrrolidines.
Authors: Delaye Pierre‐Olivier , Pradhan Tarun K. , Lambert Emilie , Vasse Jean‐Luc , Szymoniak Jan
Published: October 2010

The development of a simple route to enantiomerically pure 2,3‐disubstituted pyrrolidines is presented.
ChemInform Abstract: Synthesis and Characterization of New 3‐Acyl‐7‐hydroxy‐6,8‐substituted‐coumarin and 3‐Acyl‐7‐benzyloxy‐6,8‐substituted‐coumarin Derivatives.
Authors: Chimenti Franco , Bolasco Adriana , Secci Daniela , Bizzarri Bruna , Chimenti Paola , Granese Arianna , Carradori Simone
Published: October 2010

Coumarin analogues bearing an acyl function at position 3, halogens at position 6, substituted or unsubstituted benzyloxy moieties at position 7, and a methyl group at position 8, are synthesized.
ChemInform Abstract: 1,3‐Dipolar Cycloadditions of 2‐Thio‐3‐chloroacrylamides with Nitrile Oxides and Nitrones.
Authors: Kissane Marie , Lawrence Simon E. , Maguire Anita R.
Published: October 2010

The reaction of β‐chloroacrylamides, derived from sulfides or sulfoxides, with nitriloxide (II) proceeds with complete regio‐ and diastereoselectivities.
ChemInform Abstract: Iron‐Mediated Direct Suzuki—Miyaura Reaction: A New Method for the ortho‐Arylation of Pyrrole and Pyridine.
Authors: Wen Jun , Qin Song , Ma Li‐Fang , Dong Liang , Zhang Ji , Liu Shan‐Shan , Duan Yi‐Shu , Chen Shan‐Yong , Hu Chang‐Wei , Yu Xiao‐Qi
Published: October 2010

The first example of the iron‐catalyzed direct Suzuki—Miyaura reaction between N‐heterocyclic compounds and arylboronic acids is presented.
ChemInform Abstract: A Straightforward Synthesis of Pentosidine Framework.
Authors: Liu Yahua , Zhang Weihan , Sayre Lawrence M.
Published: October 2010

The concise synthesis of the pentosidine framework (X) consists of a five‐step sequence which provides the target compound in a satisfactory overall yiel (75%).
ChemInform Abstract: Synthesis of New cis‐Fused Tetrahydrochromeno[4,3‐b]quinolines and Their Antiproliferative Activity Studies Against MDA‐MB‐231 and MCF‐7 Breast Cancer Cell Lines.
Authors: Nagaiah K. , Venkatesham A. , Rao R. Srinivasa , Saddanapu V. , Yadav J. S. , Basha S. J. , Sarma A. V. S. , Sridhar B. , Addlagatta A.
Published: October 2010

11 new cis‐fused tetrahydrochromeno[4,3‐b]quinolines of type (III) are prepared by intramolecular [4 + 2] imino‐Diels—Alder reaction of 2‐azadienes derived in situ from aromatic amines (II) and chromenones of type (I).
ChemInform Abstract: Synthesis of Some New Pyridazin‐3‐one Derivatives and Their Utility in Heterocyclic Synthesis.
Authors: El‐Mobayed Medhat M. , Hussein Ahmed M. , Mohlhel Wafia M.
Published: October 2010

New pyridazinone derivatives (IV) are synthesized by nucleophilic addition of benzylamine to butenoic acid derivatives (I) followed by cyclocondensation of the adducts with hydrazine hydrate.
ChemInform Abstract: Novel 2‐Hydrazino‐pyrimidin‐4(3H)‐one Derivatives as Potential Dihydrofolate Reductase Inhibitors.
Authors: Degani Mariam S. , Bag Seema , Bairwa Ranjeet , Tawari Nilesh R. , Queener Sherry F.
Published: October 2010

All reactions are accomplished using a one‐pot microwave‐assisted procedure.
ChemInform Abstract: Thieno[2,3‐d]pyrimidines and ‐[1,3]oxazines as Glutamate Antagonists and Investigations on the Inhibitory Potency Toward Human Leukocyte Elastase.
Authors: Briel Detlef , Rybak Anastasiya , Kronbach Christiane , Unverferth Klaus , Gonzalez Tanarro Camino M. , Guetschow Michael
Published: October 2010

Fused thiophene derivatives such as thienopyrimidines, thienooxazines, and thienothiazines with the common 5‐methyl‐6‐phenyl substitution pattern are designed and synthesized as cyclic analogues of a particularly active antagonist at the GluR6 kainate receptor.
ChemInform Abstract: Synthesis, Characterization and Biological Screening of Some Novel Tetrahydroquinazoline Derivatives.
Authors: Dodiya D. K. , Vaghasia S. J. , Trivedi A. R. , Ram H. K. , Shah V. H.
Published: October 2010

The title compounds (VIIc)—(VIIf) exhibit excellent antimicrobial activity compared to the standard drugs.
ChemInform Abstract: Metal‐Free, Aerobic Dioxygenation of Alkenes Using Hydroxamic Acids.
Authors: Schmidt Valerie A. , Alexanian Erik J.
Published: October 2010

Oxygen or even air are used as inexpensive oxidants in the title reaction affording 1,2‐oxazine or isoxazole derivatives.
ChemInform Abstract: A One‐Pot Biginelli Synthesis of 6‐Unsubstituted 5‐Aroylpyrimidin‐2(1H)‐ones and 6‐Acetyl‐1,2,4‐triazin‐3(2H)‐ones.
Authors: Darwish Elham Sayed , Abdelhamid Ismail Abdelshafy , Nasra Miead Adel , Abdel‐Gallil Fathy Mohamed , Fleita Daisy Hanna
Published: October 2010

The three‐component reaction of enamines (I) or azaenamine (V) with aldehydes (II) and urea (III) lead to the desired pyrimidine (IV) or triazine (VI) derivatives, respectively.
ChemInform Abstract: Triptycene‐Derived Oxacalixarene with Expanded Cavity: Synthesis, Structure and Its Complexation with Fullerenes C60 and C70.
Authors: Hu Shu‐Zhen , Chen Chuan‐Feng
Published: October 2010

The title calixarene (III) shows highly efficient complexation ability towards fullerenes C60 and C70.
ChemInform Abstract: Selectivity of N‐Aroyl‐N′‐arylthioureas Towards 2‐(1,3‐Dioxo‐1H‐inden‐2(3H)‐ylidene)malononitrile. New Synthesis of (Z)‐N‐((E)‐4‐Amino‐1‐aryl‐5‐cyano‐6‐oxo‐1H‐indeno[1,2‐d] [1,3]thiazepin2(6H)‐ylidene)‐4‐arylamides of Antitumor and Antioxidant Activities.
Authors: Aly Ashraf A. , Brown Alan B. , Ramadan Mohamed , Abdel‐Aziz Mohamed , Abuo‐Rahma Gamal El‐Din A. A. , Radwan Mohamed F. , Gamal‐Eldeen Amira M.
Published: October 2010

Some of the title thiazepine derivatives show effective antitumor, e.g. (IIIb), and/or antioxidative activities, e.g. (IIIb) and (IIId).
ChemInform Abstract: Electrophilic Glycosidation Employing 3,5‐O‐(Di‐tert‐butylsilylene)‐erythro‐furanoid Glycal Leads to Exclusive Formation of the β‐Anomer: Synthesis of 2′‐Deoxynucleosides and Its 1′‐Branched Analogues.
Authors: Haraguchi Kazuhiro , Konno Kiju , Yamada Kaori , Kitagawa Yasuyuki , Nakamura Kazuo T. , Tanaka Hiromichi
Published: October 2010

NIS‐Mediated electrophilic glycosidation of silylated nucleobases, generated in situ, with glycal (I) result in the exclusive formation of the β‐products (III).
ChemInform Abstract: Application of Halide Molten Salts as Novel Reaction Media for O‐Glycosidic Bond Formation.
Authors: Kumar Vineet , Talisman Ian Jamie , Malhotra Sanjay V.
Published: October 2010

Molten halide are used as novel reaction media for Koenigs—Knorr‐type O‐glycosidation reactions between glycosyl bromides and various phenolic acceptors.
ChemInform Abstract: Antimicrobial Alkaloids from the Tubers of Stephania succifera
Authors: Yang De‐Lan , Mei Wen‐Li , Wang Hui , Dai Hao‐Fu
Published: October 2010

isolation, structure determination and antimicrobial activities of cepharanone D (I) and N‐formyl‐asimilobine (II)
ChemInform Abstract: Synthetic Approaches to Inorganic Borohydrides
Authors: Hagemann Hans , Cerny Radovan
Published: October 2010

Review: 86 refs.
ChemInform Abstract: Practical Methods for the Synthesis of Symmetrically α,α‐Disubstituted α‐Amino Acids
Authors: Soloshonok Vadim A. , Sorochinsky Alexander E.
Published: October 2010

Review: ca. 150 refs.
ChemInform Abstract: Recent Advances in the Chemistry of 1,2,4‐Triazines
Authors: Raw Steven A. , Taylor Richard J. K.
Published: October 2010

Review: ca. 80 refs.
ChemInform Abstract: Hybrid Nanostructures Using π‐Conjugated Polymers and Nanoscale Metals: Synthesis, Characteristics, and Optoelectronic Applications
Authors: Park Dong Hyuk , Kim Mi Suk , Joo Jinsoo
Published: October 2010

Review: 71 refs.
ChemInform Abstract: Star‐Shaped π‐Conjugated Oligomers and Their Applications in Organic Electronics and Photonics
Authors: Kanibolotsky Alexander L. , Perepichka Igor F. , Skabara Peter J.
Published: October 2010

Review: 210 refs.
ChemInform Abstract: Understanding the Molecular Mechanisms of Friedreich′s Ataxia to Develop Therapeutic Approaches
Authors: Schmucker Stephane , Puccio Helene
Published: October 2010

Review: 97 refs.
ChemInform Abstract: Benzdiynes and Related Dehydroaromatics
Authors: Sato Tadatake , Niino Hiroyuki
Published: October 2010

Review: ca. 70 refs.
Very large‐scale computation of very small‐scale motions in a fully developed pipe flow
Authors: Hmoudou K. , Allan W. , Goni Boulama K. , Wu X.
Published: October 2010

Local isotropy theory is examined using direct numerical simulation in a fully developed pipe flow at two Reynolds numbers Reτ=1285.6 and 684.8. The approach to local isotropy is assessed with reference to the two Kolmogorov classical equations for longitudinal and transverse velocity structure functions. The results for the second‐order longitudinal structure functions in both the dissipative and inertial ranges indicate an improved agreement with the local isotropy hypothesis as the centreline is approached. However, the transverse structure functions satisfy isotropy neither in the dissipative range or in the inertial range. The distribution of the longitudinal and transverse structure functions also shows a substantial Reynolds number dependance in the logarithmic region of the flow and beyond. The results for the third‐order longitudinal structure function demonstrate an increased Reynolds number influence, and a deteriorating tendency to local isotropy for large separations. Contour images of axial velocity differences in the dissipative and inertial ranges have exhibited interesting patterns in relation to those of the instantaneous axial velocity. Finally, the results obtained in this investigation are in very good agreement with other published experimental and numerical data on channel and duct flows. Copyright © 2010 John Wiley & Sons, Ltd.
An hp‐adaptive discontinuous Galerkin method for shallow water flows
Authors: Eskilsson C.
Published: October 2010

An adaptive spectral/hp discontinuous Galerkin method for the two‐dimensional shallow water equations is presented. The model uses an orthogonal modal basis of arbitrary polynomial order p defined on unstructured, possibly non‐conforming, triangular elements for the spatial discretization. Based on a simple error indicator constructed by the solutions of approximation order p and p−1, we allow both for the mesh size, h, and polynomial approximation order to dynamically change during the simulation. For the h‐type refinement, the parent element is subdivided into four similar sibling elements. The time‐stepping is performed using a third‐order Runge–Kutta scheme. The performance of the hp‐adaptivity is illustrated for several test cases. It is found that for the case of smooth flows, p‐adaptivity is more efficient than h‐adaptivity with respect to degrees of freedom and computational time. Copyright © 2010 John Wiley & Sons, Ltd.
Effect of the A Cation Size Disorder on the Properties of an Iron Perovskite Series for Their Use as Cathodes for SOFCs
Authors: Vidal K. , Rodríguez‐Martínez L. M. , Ortega‐San‐Martín L. , Nó M. L. , Rojo T. , Arriortua M. I.
Published: October 2010

In order to develop a cathode that can be used in intermediate temperature solid oxide fuel cells, a family of iron perovskites with the general formula Ln0.5M0.5FeO3–δ (A = Ln1–xMx; Ln = La, Nd and/or Pr; M = Sr, Ca or/and Ba) with fixed divalent dopant concentration x to 0.5, mean A cation radius 〈rA〉 to 1.25 Å but with different A cation size disorder σ2(rA) has been prepared by the conventional solid state reaction. These compounds have been characterised by power X‐ray diffraction (XRD), high‐resolution scanning electron microscopy (SEM), electrical conductivity, I–V measurements and AC impedance spectroscopy. All the samples have a rhombohedral crystal structure (space group: R‐3c). SEM images show that the average grain size increases with increasing σ2(rA) in the bulk samples. The DC four‐probe measurements indicate that electrical conductivity is strongly dependent on the σ2(rA). Electrochemical impedance spectra at 700 and 800 °C revealed that better electrochemical cathode performances are for samples with smaller values of σ2(rA).
Local knowledge, state power, and the science of industrial labor relations: William Leiserson, David Saposs, and American labor economics in the interwar years
Authors: Wang Jessica
Published: October 2010

Recent scholarship has frequently emphasized modern states' use of social science to impose universalized conceptions of rationality and order upon diverse, highly localized settings. The New Deal era experiences of William M. Leiserson and David J. Saposs, however, provide an analytical alternative. As students of the pioneering labor economist John R. Commons, Leiserson and Saposs sought to create mechanisms for state oversight of industrial labor relations that recognized local practices and arrangements. Although their approach failed to take hold within the National Labor Relations Board, localized institutional and political contingencies, and not a hegemonic modernism, account best for their frustrated aspirations in the late 1930s. © 2010 Wiley Periodicals, Inc.
Continuous‐flow syntheses of heterocycles
Authors: Glasnov Toma N. , Kappe C. Oliver
Published: October 2010

This review surveys the synthesis of heterocycles under continuous‐flow conditions, including the use of chip‐based microreactors, coil‐based flow reactors, and capillary or tubular devices. J. Heterocyclic Chem., 2011.
Weather types accompanying very high pressure in Krakow in the period 1901–2000
Authors: Bielec‐Bakowska Zuzanna , Piotrowicz Katarzyna
Published: October 2010

The paper presents a classification of weather types observed in Krakow during the 20th century on days with particularly strong highs. The classification was based on daily values of a number of weather elements recorded at Krakow's Historic Weather Station during the period 1901–2000. Days with very high pressure were defined as those with an air pressure at 12 UTC equal to or greater than the 99th percentile of all the cases analysed (≥1037.5 hPa). A slightly modified version of a classification developed by Woś (1999) was used to determine weather types on each of the days identified. Very high pressure was found to have occurred solely during the cold half of the year (October–March). It was mostly accompanied by fairly frosty (9‐‐‐) or moderately frosty (8‐‐‐) weather types; subtype: sunny or with little cloud amount and very sunny (‐02‐) and very cloudy, without sunshine or with little sunshine (‐20‐); and weather class: without fog (‐‐‐0). No significant annual or seasonal trends were found in the occurrence of days with very high pressure or in the various weather types. Copyright © 2010 Royal Meteorological Society
Classification of Raman spectra using the correlation kernel
Authors: Kyriakides Alexandros , Kastanos Evdokia , Hadjigeorgiou Katerina , Pitris Costas
Published: October 2010

The classification of Raman spectra can be very useful in a wide range of diagnostic applications including bacterial identification. Before any form of classification can be carried out on the Raman spectra, some form of pre‐processing is commonly applied. This pre‐processing greatly affects the accuracy of the results and introduces user bias and over‐fitting effects. In this paper, we propose using support vector machines with the correlation kernel. The use of the correlation kernel on Raman spectra has not been presented before in any published work. Our results illustrate that the correlation kernel is ‘self‐normalizing’ and produces superior classification performance with minimal pre‐processing, even on highly noisy data obtained using inexpensive equipment. Such effective classification approaches can lead to clinically valuable diagnostic applications of Raman Spectroscopy. Copyright © 2010 John Wiley & Sons, Ltd.
Characterisation of blends of polyisoprene and polystyrene by on‐line hyphenation of HPLC and 1H‐NMR: LC‐CC‐NMR at critical conditions of both homopolymers
Authors: Sinha Pritish , Hiller Wolf , Pasch Harald
Published: October 2010

Blends of polystyrene (PS) and polyisoprene (PI) were analysed by on‐line hyphenation of LC at critical conditions and 1H‐NMR. Chromatography at critical conditions was established for both PS and PI. At both critical conditions, a perfect separation into the blend components was achieved. By operating at critical conditions of one blend component and size exclusion mode for the other it is possible to determine the molar mass using a suitable calibration. By using NMR as a detector, the microstructure of PI can be identified, quantified and the chemical composition of the blends can be calculated by monitoring the signal intensities of the olefinic protons of isoprene and the aromatic protons of PS.
A New Family of High‐Performance Ti Catalysts for Olefin Polymerization
Authors: Sandaroos Reza , Damavandi Saman , Farhadipour Abolghasem
Published: October 2010

The syntheses, structures and olefin polymerization behavior of Ti complexes containing a pair of chelating aminotropone [ON] ligands are reported. DFT studies revealed that bis(aminotropone) Ti complexes, when activated, provide a metal alkyl in the cis position to a vacant coordination site for monomer binding, suggesting great potential for the polymerization of olefinic monomers. Unlike Ti‐FI catalysts, bis(aminotropone) Ti complexes do not require the presence of steric bulk in close proximity to the anionic donor. Bis(aminotropone) Ti complexes combined with MAO display high ethylene polymerization activities (max. 27 200 kg polymer per mol catalyst and hour) comparable to those obtained with early group‐four metallocene catalysts under identical conditions.

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Pathogenesis and management of seasonal affective disorder
Authors: Cotterell Darren
Published: October 2010

Seasonal affective disorder (SAD) has been recognised for many years and yet the validity of it as a specific syndrome continues to be questioned. Here, Dr Cotterell describes the principal characteristics of SAD, our current understanding of the pathogenesis of the syndrome and possible treatment options. Copyright © 2010 Wiley Interface Ltd
Tuning nanoscopic self‐assembly of diblock copolymer blends on a two‐dimensional interface
Authors: Lu Hsiang‐Wei , Logan Jennifer L. , Hosoi A. E. , Baker Shenda M.
Published: October 2010

Spreading amphiphilic diblock copolymers on a two‐dimensional liquid interface has been observed to produce nanoscale features via self‐assembly. Here, we develop a model that incorporates the effects of polymer entanglement and surface diffusion in polymer blends to quantitatively predict the size of experimentally observed structures. Simulations show that different polymers in the blend cooperate to self‐assemble into nanoscale features of varying sizes. Characteristic nanoscopic dimensions can be tuned by adjusting two easily controllable macroscopic quantities: the blend composition and the initial surface concentration. Theoretical predictions are in agreement with experimentally measured feature dimensions. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2011
Development of a new physics‐based internal coordinate mechanics force field and its application to protein loop modeling
Authors: Arnautova Yelena A. , Abagyan Ruben A. , Totrov Maxim
Published: October 2010

We report the development of internal coordinate mechanics force field (ICMFF), new force field parameterized using a combination of experimental data for crystals of small molecules and quantum mechanics calculations. The main features of ICMFF include: (a) parameterization for the dielectric constant relevant to the condensed state (ϵ = 2) instead of vacuum, (b) an improved description of hydrogen‐bond interactions using duplicate sets of van der Waals parameters for heavy atom‐hydrogen interactions, and (c) improved backbone covalent geometry and energetics achieved using novel backbone torsional potentials and inclusion of the bond angles at the Cα atoms into the internal variable set. The performance of ICMFF was evaluated through loop modeling simulations for 4–13 residue loops. ICMFF was combined with a solvent‐accessible surface area solvation model optimized using a large set of loop decoys. Conformational sampling was carried out using the biased probability Monte Carlo method. Average/median backbone root‐mean‐square deviations of the lowest energy conformations from the native structures were 0.25/0.21 Å for four residues loops, 0.84/0.46 Å for eight residue loops, and 1.16/0.73 Å for 12 residue loops. To our knowledge, these results are significantly better than or comparable with those reported to date for any loop modeling method that does not take crystal packing into account. Moreover, the accuracy of our method is on par with the best previously reported results obtained considering the crystal environment. We attribute this success to the high accuracy of the new ICM force field achieved by meticulous parameterization, to the optimized solvent model, and the efficiency of the search method. Proteins 2011. © 2010 Wiley‐Liss, Inc.
An accurate feature‐based method for identifying DNA‐binding residues on protein surfaces
Authors: Xiong Yi , Liu Juan , Wei Dong‐Qing
Published: October 2010

Proteins that interact with DNA play vital roles in all mechanisms of gene expression and regulation. In order to understand these activities, it is crucial to analyze and identify DNA‐binding residues on DNA‐binding protein surfaces. Here, we proposed two novel features B‐factor and packing density in combination with several conventional features to characterize the DNA‐binding residues in a well‐constructed representative dataset of 119 protein‐DNA complexes from the Protein Data Bank (PDB). Based on the selected features, a prediction model for DNA‐binding residues was constructed using support vector machine (SVM). The predictor was evaluated using a 5‐fold cross validation on above dataset of 123 DNA‐binding proteins. Moreover, two independent datasets of 83 DNA‐bound protein structures and their corresponding DNA‐free forms were compiled. The B‐factor and packing density features were statistically analyzed on these 83 pairs of holo‐apo proteins structures. Finally, we developed the SVM model to accurately predict DNA‐binding residues on protein surface, given the DNA‐free structure of a protein. Results showed here indicate that our method represents a significant improvement of previously existing approaches such as DISPLAR. The observation suggests that our method will be useful in studying protein‐DNA interactions to guide consequent works such as site‐directed mutagenesis and protein‐DNA docking. Proteins 2011. © 2010 Wiley‐Liss, Inc.
Demonstrating the importance of interactional socialization in organization
Authors: Lee Hung‐Wen
Published: October 2010

The purpose of this study is to analyse the level of knowledge sharing among employees in different relationship styles. This is helpful to understand whether the interaction among employees in each relationship has a positive effect on the level of knowledge sharing. This study analyses the effect of social activities on the level of knowledge sharing from the viewpoint of employees. The result shows a positive outcome, indicating that managers need to pay more attention to the interactions among organizational members. Copyright © 2010 John Wiley & Sons, Ltd.