bluuebunny/crossref_metadata_2025_split huggingface dataset:
Atomistisches Verständnis der Keimbildung und des Kristallwachstums durch molekulare Simulationen
Authors: Anwar Jamshed , Zahn Dirk 
Published: January 2011

AbstractDie Modellierung von Keimbildungsprozessen durch molekulare Simulation ermöglicht nicht nur die Berechnung kinetischer und thermodynamischer Eigenschaften, sondern bietet zugleich mechanistische Einblicke auf atomarer Ebene. Die vielfältigen Möglichkeiten, Experimente durch Modellsimulationen zu ergänzen, sind jedoch mit der Überwindung einer Reihe von technischen Schwierigkeiten verbunden. Keimbildungsprozesse sind seltene Ereignisse, die direkten Brute‐Force‐Molekulardynamiksimulationen nur in Ausnahmefällen zugänglich sind. Erst durch Fortschritte bei der Überbrückung von Zeit‐ und Längenskalen konnten kürzlich entwickelte Ansätze auch solche Simulationen ermöglichen, die lange Zeit als undurchführbar galten. Dabei können einerseits generische Modelle zur Erarbeitung eines allgemeinen Verständnisses genutzt werden. Zum anderen sind aber auch detaillierte Einblicke in realitätsnahe Systeme möglich, sofern die Kristallbildungsprozesse in handhabbare Module unterteilt werden. So können die Assoziation einzelner Ionen in der Lösung, die Bildung von geordneten Motiven, Reifungsreaktionen, Keimbildung und postkritisches Wachstum von Nanokristallen auf molekularer Ebene untersucht werden. Durch die Analyse des Wechselspiels mit additiven Molekülen lassen sich zudem Einblicke in funktionalisierte Nanopartikel und Kompositmaterialien gewinnen.
2‐Iodoxybenzoesäure – ein einfaches Oxidationsmittel mit einer Vielfalt an Anwendungsmöglichkeiten
Authors: Duschek Alexander , Kirsch Stefan F. 
Published: January 2011

AbstractSeit seiner Entdeckung durch Christoph Hartmann und Victor Meyer im Jahr 1893 hat sich 2‐Iodoxybenzoesäure (IBX) zu einem geradezu ubiquitär einsetzbaren Oxidationsmittel entwickelt. Insbesondere in den vergangenen zehn Jahren wurde eine Vielzahl von Anwendungsmöglichkeiten beschrieben, die weit über die einfache Oxidation von Alkoholen hinausgehen. Dieser Aufsatz behandelt das Potenzial von IBX in der Synthese, wobei insbesondere unerwartete Reaktivitäten und moderne Anwendungen im Mittelpunkt der Diskussion stehen.
Uncovering Molecular Processes in Crystal Nucleation and Growth by Using Molecular Simulation
Authors: Anwar Jamshed , Zahn Dirk 
Published: January 2011

AbstractExploring nucleation processes by molecular simulation provides a mechanistic understanding at the atomic level and also enables kinetic and thermodynamic quantities to be estimated. However, whilst the potential for modeling crystal nucleation and growth processes is immense, there are specific technical challenges to modeling. In general, rare events, such as nucleation cannot be simulated using a direct “brute force” molecular dynamics approach. The limited time and length scales that are accessible by conventional molecular dynamics simulations have inspired a number of advances to tackle problems that were considered outside the scope of molecular simulation. While general insights and features could be explored from efficient generic models, new methods paved the way to realistic crystal nucleation scenarios. The association of single ions in solvent environments, the mechanisms of motif formation, ripening reactions, and the self‐organization of nanocrystals can now be investigated at the molecular level. The analysis of interactions with growth‐controlling additives gives a new understanding of functionalized nanocrystals and the precipitation of composite materials.
Supramolecular Chemical Sensors Based on Pyrene Monomer–Excimer Dual Luminescence
Authors: Karuppannan Sekar , Chambron Jean‐Claude 
Published: January 2011

AbstractThe past ten years have seen a spectacular development of chemical sensors based on the monomer–excimer dual luminescence of aromatic systems, such as pyrene. Either in the form of integrated or multicomponent molecular devices these chemosensors have been attracting a high interest above all because of their unique ratiometric properties. This review will focus on the latter systems, which can be classified into two classes: Firstly, the assembly of receptor–effector conjugates is triggerred by the analyte of interest. As a result, the sensor shows monomer to excimer fluorescence switching upon substrate binding. Secondly, the supramolecular assembly that constitutes the sensor is perturbed by interaction with the analyte. This induces a conformational change or the exchange of a component of the system, which is the cause of the luminescence switch effect.
Flow‐injection chemiluminescent determination of estrogen benzoate using the tris(1,10‐phenanthroline) ruthenium(II)–permanganate system
Authors: Ma Yan , Cao Wei , Qiao Shuang , Liu Wenwen , Yang Jinghe 
Published: January 2011

ABSTRACTChemiluminescence (CL) detection for the determination of estrogen benzoate, using the reaction of tris(1,10–phenanthroline)ruthenium(II)–Na2SO3–permanganate, is described. This method is based on the CL reaction of estrogen benzoate (EB) with acidic potassium permanganate and tris(1,10–phenanthroline)ruthenium(II). The CL intensity is greatly enhanced when Na2SO3 is added. After optimization of the different experimental parameters, a calibration graph for estrogen benzoate is linear in the range 0.05–10 µg/mL. The 3 s limit of detection is 0.024 µg/mL and the relative standard deviation was 1.3% for 1.0 µg/mL estrogen benzoate (n = 11). This proposed method was successfully applied to commercial injection samples and emulsion cosmetics. The mechanism of CL reaction was also studied. Copyright © 2011 John Wiley & Sons, Ltd.
Emotion regulation consumption: When feeling better is the aim
Authors: Kemp Elyria , Kopp Steven W. 
Published: January 2011

AbstractThis research explored how individuals regulate their emotions by consuming products of a hedonic nature. We introduce a new construct to the consumer research literature, emotion regulation consumption (ERC), which involves the consumption or purchase of a good or service for the purposes of alleviating, repairing, or managing an emotion in the short term. Specifically, ERC processes were examined for four discrete emotions – sadness, amusement, contentment, and fear/anxiety. Additionally, this research demonstrates how an individual's ability to use internal cognitive control processes, or “emotion regulation strategies,” to manage emotions may differentially moderate the effects of emotions on hedonic consumption. Important theoretical and managerial implications are offered:
Anytime that I am bummed, I order in the unhealthiest foods I can think of. I definitely use food as a crutch. I call it eating my feelings. (female, 23).

Whenever I feel great, the first thing I want to do is play golf. It does not matter if I go play a full round somewhere or just get in some practice at the driving range…I just want to hit some golf balls. (male, 24).1
Copyright © 2011 John Wiley & Sons, Ltd.
Religiosity and consumer behavior of older adults: A study of subcultural influences in Malaysia
Authors: Moschis George P. , Ong Fon Sim 
Published: January 2011

Abstract
Although differences in consumption patterns across countries are often inferred to be the result of different cultural values and religious orientations, they raise issues of validity because of the many country‐specific factors that may affect behavior. Furthermore, the effects of religiosity are confounded with those of variables that are associated with religiosity such as age. This paper examines the effects of religiosity on well‐being and changes in consumer preferences of 645 adults age 50 and older living in different regions of Malaysia who were surveyed via personal interviews. The results confirm the positive effects of religiosity on well‐being but show differences across the three main ethnic subcultures of Malaysia (Malays, Indians, and Chinese), and they provide little support for the hypotheses that the consistency of consumer brand and store preferences is influenced by religious values. It is suggested that the relationship between religiosity and consumer behaviors warrants additional research, focusing also on variables that relate to religiosity, method of analysis, and on mechanisms that link religiosity to consumer behaviors.
Copyright © 2011 John Wiley & Sons, Ltd.
Baicalein Inhibits Formation of α‐Synuclein Oligomers within Living Cells and Prevents Aβ Peptide Fibrillation and Oligomerisation
Authors: Lu Jia‐Hong , Ardah Mustafa Taleb , Durairajan Siva Sundara Kumar , Liu Liang‐Feng , Xie Li‐Xia , Fong Wang‐Fun David , Hasan Mohamed Y. , Huang Jian‐Dong , El‐Agnaf Omar M. A. , Li Min 
Published: January 2011

AbstractAbnormal protein aggregation in the brain is linked to the pathogenesis of neurodegenerative diseases, including Alzheimer's disease (AD) and Parkinson's disease (PD). Recent studies revealed that the oligomeric form of aggregates is most likely the toxic species, and thus could be a good therapeutic target. To screen for potent inhibitors that can inhibit both oligomerisation and fibrillation of α‐synuclein (α‐syn), we systematically compared the antioligomeric and antifibrillar activities of eight compounds that were extracted from Chinese herbal medicines through three platforms that can monitor the formation of α‐syn fibrils and oligomers in cell‐free or cellular systems. Our results revealed that baicalein, a flavonoid extracted from the Chinese herbal medicine Scutellaria baicalensis Georgi (“huang qin” in Chinese), is a potent inhibitor of α‐syn oligomerisation both in cell‐free and cellular systems, and is also an effective inhibitor of α‐syn fibrillation in cell‐free systems. We further tested the protective effect of baicalein against α‐syn‐oligomer‐induced toxicity in neuronal cells. Our data showed that baicalein inhibited the formation of α‐syn oligomers in SH‐SY5Y and Hela cells, and protected SH‐SY5Y cells from α‐syn‐oligomer‐induced toxicity. We also explored the effect of baicalein on amyloid‐β peptide (Aβ) aggregation and toxicity. We found that baicalein can also inhibit Aβ fibrillation and oligomerisation, disaggregate pre‐formed Aβ amyloid fibrils and prevent Aβ fibril‐induced toxicity in PC12 cells. Our study indicates that baicalein is a good inhibitor of amyloid protein aggregation and toxicity. Given the role of these processes in neurodegenerative diseases such as AD and PD, our results suggest that baicalein has potential as a therapeutic agent for the treatment of these devastating disorders.
Metabolon Catalysts: An Efficient Model for Multi‐enzyme Cascades at Electrode Surfaces
Authors: Moehlenbrock Michael J. , Toby Timothy K. , Pelster Lindsey N. , Minteer Shelley D. 
Published: January 2011

AbstractThe existence of interactions between sequential enzymes of metabolic pathways has been explored extensively throughout the field of biochemistry. These closely coupled pathways, termed metabolons, have been demonstrated to induce substrate channeling that results in increased efficiency by enhancing local substrate concentrations, protecting liable intermediates, and limiting distance between enzyme active sites. This phenomenon may have direct implication in the advancement of multi‐enzyme enzymatic biofuel cells through the use of super‐complex formations as bioanode catalysts. This will result in an efficient means of a more complete oxidation of a fuel, while optimizing the flux of the system through the recreation of a phenomenon that is conserved throughout biology.
Mirror Helices and Helicity Switch at Surfaces Based on Chiral Triangular‐Shape Oligo(phenylene ethynylenes)
Authors: Aparicio Fátima , García Fátima , Fernández Gustavo , Matesanz Emilio , Sánchez Luis 
Published: January 2011

AbstractThe self‐assembly of triangular‐shaped oligo(phenylene ethynylenes) (OPEs), peripherally decorated with chiral and linear paraffinic chains, is investigated in bulk, onto surfaces and in solution. Whilst the X‐ray diffraction data for the chiral studied systems display a broad reflection centered at 2θ ∼20° (λ=CuKα), the higher crystallinity of OPE 3, endowed with three linear decyl chains, results in a diffractrogram with a number of well‐resolved reflections that can be accurately indexed as a columnar packing arranged in 2D oblique cells. Compounds (S)‐1 a and (R)‐1 b—endowed with (S)‐ and (R)‐3,7‐dimethyloctyloxy chains—transfer their chirality to the supramolecular structures formed upon their self‐assembly, and give rise to helical nanostructures of opposite handedness. A helicity switch is noticeable for the case of chiral (S)‐2 decorated with (S)‐2‐methylnonyloxy chains which forms right‐handed helices despite it possesses the same stereoconfiguration for their stereogenic carbons as (S)‐1 a that self‐assembles into left‐handed helices. The stability and the mechanism of the supramolecular polymerization in solution have been investigated by UV/Vis experiments in methylcyclohexane. These studies demonstrate that the larger the distance between the stereogenic carbon and the aromatic framework is, the more stable the aggregate is. Additionally, the self‐assembly mechanism is conditioned by the peripheral substituents: whereas compounds (S)‐1 a and (R)‐1 b self‐assemble in a cooperative manner with a low degree of cooperativity, the aggregation of (S)‐2 and 3 is well described by an isodesmic model. Therefore, the interaction between the chiral coil chains conditions the handedness of the helical pitch, the stability of the supramolecular structure and the supramolecular polymerization mechanism of the studied OPEs.
Adsorption and Diffusion – Basis for Molecular Understanding of Permeation through Molecular Sieve Membranes
Authors: Chmelik Christian , Voß Hartwig , Bux Helge , Caro Jürgen 
Published: January 2011

AbstractIn three case studies, (i) 1‐butene/i‐butene separation on a ZSM‐5 membrane, (ii) carbon dioxide/methane, and (iii) ethene/ethane separations on a zeolitic imidazolate framework 8 (ZIF‐8) type metal organic framework (MOF) membrane, it is demonstrated that the membrane selectivity for the separation of a gas mixtures can be well described and even predicted by the interplay of mixture adsorption and mixture diffusion according to the simple relation membrane selectivity = adsorption selectivity × diffusion selectivity. The mixed gas adsorption and diffusion data which are necessary for the above calculation can be derived cost and time effective by sorption uptake/desorption studies on giant single crystals with IR microscopy (IRM) detection.
Direct Electron Transfer of Hemoglobin and Myoglobin at the Bare Glassy Carbon Electrode in an Aqueous BMI.BF4 Ionic‐Liquid Mixture
Authors: Loget Gabriel , Chevance Soizic , Poriel Cyril , Simonneaux Gérard , Lagrost Corinne , Rault‐Berthelot Joëlle 
Published: January 2011

AbstractDirect and remarkably fast electron transfers between a bare glassy carbon electrode and heme proteins (hemoglobin or myoglobin) are obtained by using an aqueous 1‐butyl‐3‐methyl imidazolium tetrafluoroborate (BMI.BF4) ionic‐liquid mixture as electrolyte. The ionic liquid is observed to play a key role in the achievement of the electron transfer. The experimental data show that the proteins are not strongly adsorbed onto the electrode surface while giving rise to sharp and well‐defined redox responses. Such a finding contrasts with most of the reported works found in literature and—beyond the fundamental aspect—it may be of interest in applications where adsorption is critical. Moreover, the electrocatalytic activity of the proteins toward the reduction of oxygen and nitrite in the aqueous BMI.BF4 mixture is evidenced, showing the potential of this simple approach for bioelectroanalytical devices.
Interconversion between Formic Acid and H2/CO2 using Rhodium and Ruthenium Catalysts for CO2 Fixation and H2 Storage
Authors: Himeda Yuichiro , Miyazawa Satoru , Hirose Takuji 
Published: January 2011

AbstractThe interconversion between formic acid and H2/CO2 using half‐sandwich rhodium and ruthenium catalysts with 4,4’‐dihydroxy‐2,2’‐bipyridine (DHBP) was investigated. The influence of substituents of the bipyridine ligand was studied. Chemical shifts of protons in bipyridine linearly correlated with Hammett substituent constants. In the hydrogenation of CO2/bicarbonate to formate under basic conditions, significant activations of the catalysts were caused by the electronic effect of oxyanions generated by deprotonation of the hydroxyl group. Initial turnover frequencies of the ruthenium‐ and rhodium‐DHBP complexes increased 65‐ and 8‐fold, respectively, compared to the corresponding unsubstituted bipyridine complexes. In the decomposition of formic acid under acidic conditions, activity enhancement by the electronic effect of the hydroxyl group was observed for the ruthenium catalyst. The rhodium‐DHBP catalyst showed high activity without CO contamination in a relatively wide pH range. Pressurized H2 can be obtained using an autoclave reactor. The highest turnover frequency and number were obtained at 80 °C. The catalytic system provides valuable insight into the use of CO2 as a H2 storage material by combining CO2 hydrogenation with formic acid decomposition.
Selective Oxidation of Glycerol by Using a Hydrotalcite‐Supported Platinum Catalyst under Atmospheric Oxygen Pressure in Water
Authors: Tsuji Akihiro , Rao Kasanneni Tirumala Venkateswara , Nishimura Shun , Takagaki Atsushi , Ebitani Kohki 
Published: January 2011

AbstractA hydrotalcite‐supported platinum (Pt/HT) catalyst was found to be a highly active and selective heterogeneous catalyst for glycerol oxidation in pure water under atmospheric oxygen pressure in a high glycerol/metal molar ratio up to 3125. High selectivity toward glyceric acid (78 %) was obtained even at room temperature under air atmosphere. The Pt/HT catalyst selectively oxidized the primary hydroxyl group of 1,2‐propandiol to give the corresponding carboxylic acid (lactic acid) as well as glycerol. The activity of the catalyst was greatly influenced by the Mg/Al ratio of hydrotalcite. Glycerol conversion increased with increasing the Mg/Al ratio of hydrotalcite (from trace to 56 %). X‐ray absorption fine structure (XAFS) measurements indicated that the catalytic oxidation activity was proportional to the metallic platinum concentration, and more than 35 % of metallic platinum was necessary for this reaction. TEM measurements and titration analysis by using benzoic acid suggested that the solid basicity of hydrotalcite plays important roles in the precise control of platinum size and metal concentration as well as the initial promotion of alcohol oxidation.
The Water Oxidation Bottleneck in Artificial Photosynthesis: How Can We Get Through It? An Alternative Route Involving a Two‐Electron Process
Authors: Inoue Haruo , Shimada Tetsuya , Kou Youki , Nabetani Yu , Masui Dai , Takagi Shinsuke , Tachibana Hiroshi 
Published: January 2011

AbstractThe state‐of‐the‐art of research on artificial photosynthesis is briefly reviewed. Insights into how Nature takes electrons from water, the photon‐flux density of sunlight, the time scale for the arrival of the next photon (electron–hole) at the oxygen‐evolving complex, how Nature solves the photon‐flux‐density problem, and how we can get through the bottleneck of water oxidation are discussed. An alternate route for a two‐electron process induced by one‐photon excitation is postulated for getting through the bottleneck of water oxidation.
A novel ICI self‐cancellation scheme for OFDM systems
Authors: Tseng Shu‐Ming , Huang Yu‐Shun 
Published: January 2011

AbstractWe propose a novel intercarrier interference (ICI) self‐cancellation scheme for orthogonal frequency division multiplexing (OFDM) systems. The symmetric scheme is the best among all ICI self‐cancellation scheme in the literature. Its coefficient pair is (1, − 1), and the loading subcarriers are the kth and N−k − 1th subcarriers, where N is the number of subcarriers. We propose to modify the symmetric scheme and change the coefficient pair from (1, − 1) to (1, −µ) where µis between 0 and 1. The proposed modified symmetric scheme has better carrier‐to‐interference‐ratio (CIR) than all previous ICI self‐cancellation schemes by at least 1.7 dB when the normalized frequency offset is 0.5. Copyright © 2011 John Wiley & Sons, Ltd.
Neural signatures of face–voice synchrony in 5‐month‐old human infants
Authors: Hyde Daniel C. , Jones Blake L. , Flom Ross , Porter Chris L. 
Published: January 2011

AbstractInfants' unitary perception of their multisensory world, including learning from people (faces and speech), hinges on temporal synchrony. Despite its importance, relatively little work has investigated the brain processes involved in infants' perception of temporal synchrony. In two experiments, we examined event‐related brain potentials (ERPs) to asynchronous and synchronous audio‐visual speech in infants. Both experiments showed the early auditory P2 was greater for the synchronously presented pairings and later attentional processing (Nc) was greater for asynchronous pairings. In addition, dynamic stimuli used in Experiment 2 produced a greater early visual response (N1) to the asynchronous condition and an enhanced memory‐related slow wave (PSW) later for the synchronous condition. These results suggest that, like adults, auditory–visual integration for young infants begins early during sensory processing rather than later during higher‐level cognitive processing. However, unlike adults, infants' brain responses may be biased towards synchrony. Furthermore, effects of attentional and memory processing confirm interpretations of behavioral looking patterns suggesting infants find synchrony more familiar. © 2011 Wiley Periodicals, Inc. Dev Psychobiol 53:359–370, 2011.
Summary of ‘Manipulative interventions for reducing pulled elbow in young children’
Authors: Canadian Editorial Office Evidence‐Based Child Health 
Published: January 2011

AbstractThis is a summary of a Cochrane review, published in this issue of EBCH, first published as: Krul M, van der Wouden JC, van Suijlekom‐Smit LWA, Koes BW. Manipulative interventions for reducing pulled elbow in young children. Cochrane Database of Systematic Reviews 2009, Issue 4. Art. No.: CD007759. DOI: 10.1002/14651858.CD007759.pub2. Copyright © 2011 The Cochrane Collaboration. Published by John Wiley & Sons, Ltd. The Cochrane Collaboration
Summary of ‘Diclofenac for acute pain in children’
Authors: Canadian Editorial Office Evidence‐Based Child Health 
Published: January 2011

AbstractThis is a summary of a Cochrane review, published in this issue of EBCH, first published as: Standing JF, Savage I, Pritchard D, Waddington M. Diclofenac for acute pain in children. Cochrane Database of Systematic Reviews 2009, Issue 4. Art. No.: CD005538. DOI: 10.1002/14 651 858.CD005538.pub2. Copyright © 2011 The Cochrane Collaboration. Published by John Wiley & Sons, Ltd. The Cochrane Collaboration
Synthesis and Characterization of Novel Guanidine Ligands Featuring Biphenyl or Binaphthyl Backbones
Authors: Maronna Astrid , Bindewald Elvira , Kaifer Elisabeth , Wadepohl Hubert , Himmel Hans‐Jörg 
Published: January 2011

AbstractIn this paper we report on the synthesis and characterization of several new 2,2′‐bisguanidino‐1,1′‐biphenyl and ‐binaphthyl ligands as well as the electron donor 3,3′,4,4′‐tetrakis(tetramethylguanidino)‐1,1′‐biphenyl. Chiral bisguanidine ligands were prepared with binaphthyl backbones. The solid‐state structures were analysed by single‐crystal X‐ray diffraction. UV/Vis and Raman spectra provided a qualitative insight into the rotational barriers in solution and in the solid state. Finally, late‐transition‐metal complexes of two of these ligands were prepared. These complexes prefer a κ1 rather than a κ2 coordination mode. The discussion of the experimental results is complemented by quantum chemical (DFT) calculations. Finally, we report on the first catalytic test reactions.