bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mechanism of surface proton transfer doping in pentacene based organic thin‐film transistors
Authors: Ausserlechner Simon J. , Gruber Manfred , Hetzel Reinhold , Flesch Heinz‐Georg , Ladinig Lukas , Hauser Lucas , Haase Anja , Buchner Michael , Resel Roland , Schürrer Ferdinand , Stadlober Barbara , Trimmel Gregor , Zojer Karin , Zojer Egbert 
Published: November 2011

AbstractA number of studies show that chemical modification of the semiconductor–dielectric interface can be used to control the threshold voltage (Vth) of organic thin film transistors (OTFTs). A promising chemical functionality to achieve that are acidic groups, which – at the semiconductor–dielectric interface – have been used to realize chemically responsive OTFTs and easy to fabricate inverter structures. Especially for pentacene based OTFTs, the underlying chemical and physical mechanisms behind the acid‐induced Vth shifts are not yet fully understood. Their clarification is the topic of the present paper. To distinguish between space‐charge and dipole‐induced effects, we study the impact of the thickness of the gate oxide on the device characteristics achieving maximum Vth‐shifts around 100 V. To elucidate the role of the acid, we compare the doping of pentacene by acidic interfacial layers with the impact of hydrochloric acid vapour and investigate the consequences of exposing devices to ammonia. Complementary experiments using 6,13‐bis(triisopropylsilylethynyl)pentacene (TIPS‐pentacene) as active layer hint toward the central (6 and 13) carbon atoms being subject to the electrophilic attack by the acidic protons. They also prove that the observed Vth shifts in pentacene devices are indeed a consequence of the interaction between the acidic groups and the active material. The experimental device characterization is supported by drift‐diffusion based device modelling, by quantum chemically simulations, as well as by contact angle, atomic force microscopy (AFM) and X‐ray reflectivity (XRR). The combination of the obtained results leads us to suggest proton transfer doping at the semiconductor–dielectric interface as the process responsible for the observed shift of Vth.
Can collision‐induced negative‐ion fragmentations of [M–H]– anions be used to identify phosphorylation sites in peptides?
Authors: Tran T. T. Nha , Wang Tianfang , Hack Sandra , Hoffmann Peter , Bowie John H. 
Published: November 2011

A joint experimental and theoretical investigation of the fragmentation behaviour of energised [M–H]– anions from selected phosphorylated peptides has confirmed some of the most complex rearrangement processes yet to be reported for peptide negative ions. In particular:

pSer and pThr (like pTyr) may transfer phosphate groups to C‐terminal carboxyl anions and to the carboxyl anion side chains of Asp and Glu, and characteristic nucleophilic/cleavage reactions accompany or follow these rearrangements.
pTyr may transfer phosphate to the side chains of Ser and Thr. The reverse reaction, namely transfer of a phosphate group from pSer or pThr to Tyr, is energetically unfavourable in comparison.
pSer can transfer phosphate to a non‐phosphorylated Ser. The non‐rearranged [M–H]– species yields more abundant product anions than its rearranged counterpart.If a peptide containing any or all of Ser, Thr and Tyr is not completely phosphorylated, negative‐ion cleavages can determine the number of phosphated residues, and normally the positions of Ser, Thr and Tyr, but not which specific residues are phosphorylated. This is in accord with comments made earlier by Lehmann and coworkers. Copyright © 2011 John Wiley & Sons, Ltd.
Synthesis, Structures, Fluorescence Properties, and Natural Bond Orbital (NBO) Analysis of Two Metal [EuIII, CoII] Coordination Polymers Containing 1, 3‐Benzenedicarboxylate and 2‐(4‐methoxyphenyl)‐1H‐imidazo[4, 5‐f][1, 10]phenanthroline Ligands
Authors: Wang Lei , Jun Zhao , Ni Liang , Yao Jia 
Published: November 2011

AbstractTwo new metal‐organic coordination polymers[Eu(m‐BDC)1.5(MOPIP)·1/2H2O]n (1) and [Co(m‐BDC)(MOPIP)2·2H2O]n (2) [m‐H2BDC = benzene‐1, 3‐dicarboxylic acid, MOPIP = 2‐(4‐methoxyphenyl)‐1H‐imidazo[4, 5‐f]1,10phenanthroline] were hydrothermally synthesized and structurally characterized by elemental analysis, IR spectroscopy, and single‐crystal X‐ray diffraction. The coordination polymers crystallize in monoclinic space group P21/m for 1 (2: P21/n), with a = 9.779(2), b = 18.242(4), c = 17.146(3) Å, β = 106.41(3)° for 1, and with a = 8.2153(16), b = 27.974(6), c = 17.974(4) Å, β = 100.40(3)° for 2. The crystal structure of complex 1 is a zipper‐like chain of octacoordinate Eu3+ ions, in which Eu3+ ions are bridged in two coordination modes by m‐BDC2+ ligands and decorated by MOPIP ligands. The molecular structure of complex 2 consists of a hexacoordinte Co2+ atom, which generates a slightly distorted octahedral arrangement, and assembles into three‐dimensional supramolecular nets by π···π stacking interactions. Additionally, these two compounds show strong fluorescence in the solid state at room temperature. Natural bond orbital (NBO) analysis is performed by using the NBO method built in Gaussian 03 Program. The calculation results show a weak covalent interaction between the coordinated atoms and metal ions.
The New High‐Pressure Sodium Tetraborate HP‐Na2B4O7
Authors: Neumair Stephanie C. , Sohr Gerhard , Vanicek Stefan , Wurst Klaus , Kaindl Reinhard , Huppertz Hubert 
Published: November 2011

AbstractThe new polymorph of sodium tetraborate HP‐Na2B4O7 was synthesized under high‐pressure / high‐temperature conditions of 6 GPa and 1000 °C in a multianvil apparatus with a Walker‐type module. HP‐Na2B4O7 crystallizes with nine formula units per cell in the trigonal chiral space groups P3221 or P3121. The parameters are a = 765.5(2), c = 2142.3(4) pm, V = 1.0872(3) nm3, R1 = 0.0581, and wR2 = 0.0809 (all data). The crystal structure of HP‐Na2B4O7 is built up from interconnected “sechser” rings of alternating corner‐sharing BO3 and BO4 groups.
Wettability of Aqueous Solutions of Eco‐Friendly Surfactants (Ethoxylated Alcohols and Polyoxyethylene Glycerin Esters)
Authors: Jurado Encarnación , Vicaria José M. , García‐Martín Juan F. , García‐Román Miguel 
Published: November 2011

AbstractWettability of aqueous solutions of ethoxylated alcohols (EA), polyoxyethylene glycerin esters (PGE) and mixtures of them have been studied. For the EA assayed, the best wettability is reached when the EA have the lowest alkyl chain length and the lowest number of ethylene oxide units in the molecule. The best wettability for the PGE assayed is reached when the number of ethylene oxide units in the molecule is lowest. Aqueous solutions of these mixtures show a wetting power between those of the pure surfactants. The wettability of PGE can be improved by adding EA with a low alkyl chain length and a low number of ethylene oxide units. An exception and synergistic effect has been detected for aqueous solutions of EA (with alkyl chain length 12–14, number of ethylene oxide units 11) and PGE (with a number of ethylene oxide units equal to 2). These mixtures have better wettability than the surfactants separately, so that it might be advantageous to use both surfactants together.
VII.—On a Saracenic Goblet of Enamelled Glass of medieval date
Authors: Read Charles Hercules 
Published: November 2011

During the past five or six years a number of interesting examples of enamelled glass have been sent to Europe from various sites in the nearer East, the principal localities near which they are said to have been found being Damascus, a spot in the neighbourhood of Aleppo, and at Koos and Fostat in Egypt.One of these, the subject of the present paper, has come into my hands for the British Museum collection, through the liberality of Miss Alice de Rothschild. It is figured in colours in the accompanying Plate XIV. of the size of the original.
XVI.—Excavations at Caerwent, Monmouthshire, on the Site of the Romano-British City of Venta Silurum, in 1902
Authors: Ashby Thomas , Hudd Alfred E. , Martin A. Trice 
Published: November 2011

The excavations which were made in June and July of 1902 were included in the report of the work done in 1901.The excavations, of which the results are now to be reported, did not begin until 11th August and were continued until October. The greater part of House No. 4 had, however, been excavated in 1900, but our description of it was postponed until the whole should have been brought to light.
VII.—The Villa d'Este at Tivoli and the Collection of Classical Sculptures which it contained
Authors: Ashby Thomas 
Published: November 2011

Among the most characteristic features of the life of the Roman aristocracy in classical times may be reckoned the habit of retiring from the noise and bustle of the city to a country house in the neighbourhood.We hear of it among the Greeks, but with them it never attained the same vogue; and in Rome it was a comparatively recent development, for the first mention we have of a villa is that of the country house of the elder Scipio Africanus at Liternum (before 183 B.C.), while the next is that of the various estates of the jurist M. Junius Brutus (about 150 B.C.). From that time, however, the practice increased, and at the end of the Republic, as is clear from the correspondence of Cicero, a wealthy man like Cicero himself would probably possess several country houses. Under the Empire, and especially in the second century A.D., which seems to have been the zenith of prosperity in the Campagna di Roma, the number of villas became far greater.
VII.—Excavations at Caerwent, Monmouthshire, on the Site of the Romano-British City of Venta Silurum, in the years 1901–1903
Authors: Ashby T. , Hudd A.E. , Martin A.T. 
Published: November 2011

The excavations upon this portion of the site have been in progress since 1901, but it was not till 1903 that they were carried so far as to enable the Committee to submit a report upon them.The land which has been under examination there is the property of Lord Tredegar, F.S.A., and the greater part of the cost of the work has been defrayed by him. The Committee desire to take this opportunity of expressing their gratitude, and their appreciation of the great help which he has given towards the exploration of Caerwent. There is no doubt that much of the support which they have received is due to the example which he has set.
VIII.—Roman and later Remains found during the Excavations on the Site of Newgate Prison, 1903-1904
Authors: Norman Philip 
Published: November 2011

In the early autumn of the year 1903 it became known that during the demolition of Newgate Prison, and while the soil was being excavated for fresh foundations, important remains of the Eoman wall of London had gradually come to light.On the 7th of October, when I first visited the scene, a piece about 20 feet long was visible, the soil to the south of it being completely dug out at the end and on each side to a depth of some feet below the level of the foundations. The beautiful yellow sand and gravel beneath were exposed to sight, and there was a fine opportunity of studying the structure, which, being more or less isolated and standing up to a considerable height, formed a picturesque object. (See Plate XV.) What made this view of the wall exceptionally interesting was that here one could see not only a transverse section, but the inner and the outer face of the wall, the former in excellent condition.
Reconfiguring the Islamic Sonic-Social inthe Bird Ghost at the Zaouiaby Seth Ayyaz
Authors: Ayyaz Bhunnoo Seth 
Published: November 2011

The paper examines issues emergent from the construction of my workthe bird ghost at the zaouia,which transliterates recorded experience and memory of time and place. Islamic ritual and public spaces were recorded, reworked, re-routed and re-sited in a work that references, comments upon and potentially reconfigures the Islamic sonic-social. Tracing my own stance, the paper foregrounds emergent issues in the recording and use of highly culturally freighted sounds. I trace three broad areas: 1. Sonic Orientalism – the use of sound that carries ‘Eastern’ cultural and religious significance in order to signal a certain kind of alterity; 2. The development of a compositional strategy that seeks a middle-path between acousmatic and acoustic-ecological debates; and 3. A cross-cultural comparison between modes of listening. In addition I discuss the contexts of debates on the permissibility of music within Islam, and also world-musics that trade on the romanticised alterity of sonic tourism. I draw parallels between an ‘ethically responsive sensorium’ characteristic of Islamic aural disciplines and the ‘aesthetically attuned sensorium’ engaged by sonic arts. I argue for an approach that is inclusive of the sonic and the full spectrum of vibration through ramified networks of memory and meaning.Audio excerpts available at:www.sethayyaz.com/sound-works/bird-ghost-at-the-zaouia
Modelling Stakeholders’ Interplay and Policy Scenarios for Biorefinery Implementation
Authors: Morone Piergiuseppe , Lucia Caterina De , Lopolito Antonio , Prosperi Maurizio 
Published: November 2011

This chapter is structured in two parts dealing with the very same problem – that is, assessing and modelling stakeholder interplay and policy scenarios forthe development of biorefineries and biodiesel production. They target, however, the problem from two distinct perspectives: micro and macro.The first part of the chapter presents the micro-economic perspective, assessing the methodological approach for policy modelling and policy evaluation. This investigation builds on the multi-level approach (MLA) for the study of technological trajectories. MLA should be conceived as a nested framework formed by linked levels: socio-technical regime, socio-technical landscape and innovation niches. Within such a framework, we focus our attention on the innovation niche and its emerging process. This is done by a three-step methodology. The first step aims at assessing the niche development status and makes use of Social Network Analysis and Fuzzy Cognitive Maps. In the second step we employ agent-based analysis for the development of an archetype model to investigating the key internal dynamics of the niche. The third step focuses on the evaluation of policy actions using a well-known criterion, that is the efficiency of the actions studied by means of the Data Envelopment Analysis.In the second part of this chapter we turn to the macro-perspective, presenting a computable general equilibrium model. Here, we use counterfactual simulations to assess how consumer welfare is affected in the following cases: (1) a change in technology to comply with the European Union commitment to renewable energy use; (2) the implementation of different tax (or subsidy) rates on energy inputs and emissions, at either national or EU level; (3) a change in land-use, if biorefineries and biodiesel are considered as inputs to production.Both the micro- and the macro-economic approaches are designed to respond to two key policy objectives: (1) to develop policy scenarios for biodiesel and biorefinery production through the analysis of social network interactions across stakeholders and consumer welfare; (2) to understand the evolution of various environmental, economic and policy constraints within a sustainable development framework for biofuel and biorefinery energy sectors.
Physical activity in German adults: Types, settings, and patterns of association by cardiovascular risk status
Authors: Huy Christina , Steindorf Karen , Litaker David , Thiel Ansgar , Diehm Curt 
Published: November 2011

AbstractLittle is known about physical activity in adults at differing risk of cardiovascular disease (CVD). Here, we describe and compare the physical activity and patterns of association with physical activity by CVD risk status based on data from computer‐assisted telephone interviews of 2002 men and women aged 50–70 years in Germany. Physical activity preferences, settings, and health‐related attitudes were assessed and groups were compared using chi‐square and non‐parametric tests. Stratified multi‐variable regression models identified factors associated with regular physical activity (at least once a week for 6 months). The proportion of respondents engaging in regular physical activity ranged from 53.8% to 60.6% across the groups (P=0.08). Respondents with and without CVD/CVD risk factors varied modestly regarding the type and settings for physical activity. However, models stratified by CVD risk demonstrated different patterns of association with regular physical activity. Socioeconomic status, for example, was important for respondents with CVD‐related risk factors (odds ratio=2.30; 95%CI: 1.38 to 3.85 for high vs. low socioeconomic status), while internal health locus of control and other attitudes towards physical activity were important for respondents with CVD (odds ratio=1.20; 95%CI: 1.06 to 1.35 per unit increase at subscale score). Our data provide opportunities for developing physical activity interventions targeted at individuals with differing cardiovascular risk.
Transcriptomic Analysis Reveals Calcium Regulation of Specific Promoter Motifs inArabidopsis
Authors: Whalley Helen J. , Sargeant Alexander W. , Steele John F.C. , Lacoere Tim , Lamb Rebecca , Saunders Nigel J. , Knight Heather , Knight Marc R. 
Published: November 2011

AbstractIncreases in intracellular calcium concentration ([Ca2+]c) mediate plant responses to stress by regulating the expression of genes encoding proteins that confer tolerance. Several plant stress genes have previously been shown to be calcium-regulated, and in one case, a specific promoter motif Abscisic Acid Responsive–Element (ABRE) has been found to be regulated by calcium. A comprehensive survey of the Arabidopsis thaliana transcriptome for calcium-regulated promoter motifs was performed by measuring the expression of genes in Arabidopsis seedlings responding to three calcium elevations of different characteristics, using full genome microarray analysis. This work revealed a total of 269 genes upregulated by [Ca2+]c in Arabidopsis. Bioinformatic analysis strongly indicated that at least four promoter motifs were [Ca2+]c-regulated in planta. We confirmed this finding by expressing in plants chimeric gene constructs controlled exclusively by these cis-elements and by testing the necessity and sufficiency of calcium for their expression. Our data reveal that the C-Repeat/Drought-Responsive Element, Site II, and CAM box (along with the previously identified ABRE) promoter motifs are calcium-regulated. The identification of these promoter elements targeted by the second messenger intracellular calcium has implications for plant signaling in response to a variety of stimuli, including cold, drought, and biotic stress.
Intestinal defensin secretion in infancy is associated with the emergence of sensitization and atopic dermatitis
Authors: Savilahti E. M. , Kukkonen A. K. , Haahtela T. , Tuure T. , Kuitunen M. , Savilahti E. 
Published: November 2011

AbstractBackgroundIntestinal flora and innate immunity, and their interactions impact adaptive immunity.ObjectiveTo study the association of fecal defensin levels in infancy with synbiotic treatment and with the emergence of atopy.MethodsThe randomly selected group of 102 infants belonged to a randomized, double‐blind placebo‐controlled trial where 1223 infants in high risk for allergy received, from birth to 6 months, a mixture of synbiotics, or placebo. Clinical trials registration number for the clinical trial is NCT00298337. In the subgroup, 45 received active treatment and 56 received placebo treatment. Follow‐up for the emergence of sensitization and allergic diseases lasted 5 years. At the age of 3 (n = 96) and 6 (n = 87) months, we measured fecal levels of human neutrophil peptide (HNP) 1–3 and of β‐defensin 2 (HBD2) using enzyme linked immunosorbent assays and concentrations of lactic acid bacteria on MRS agar. We used multifactorial regression in data analysis.ResultsFecal levels of HNP1–3 and HBD2 decreased from the age of 3–6 months (P < 0.0001). HBD2 levels decreased less in the synbiotics group compared with placebo (P < 0.02). High fecal HBD2 levels at 6 months were associated with an increased risk for sensitization by the age of 5 years (OR 2.5, 95% confidence interval 1.1–5.8, P < 0.03). High fecal HNP1–3 levels at 6 months were associated with a decreased risk for atopic dermatitis (OR 0.4, 95% CI 0.1–1.0, P < 0.05). Samples with very low or high HBD2 levels at 6 months had low concentrations of lactic acid bacteria (P < 0.02).Conclusions and clinical relevanceEarly innate immunity responses in the gut are associated with the emergence of sensitization and atopic dermatitis later in childhood.
Enabling people who are blind to experience science inquiry learning through sound‐based mediation
Authors: Levy S.T. , Lahav O. 
Published: November 2011

AbstractThis paper addresses a central need among people who are blind, access to inquiry‐based science learning materials, which are addressed by few other learning environments that use assistive technologies. In this study, we investigated ways in which learning environments based on sound mediation can support science learning by blind people. We used NetLogo, a multi‐agent programmable modeling environment that is widely used for learning about complex systems. In order to provide blind people with access to such models, we used a component that supports sound‐based mediation. The sound‐based mediation provided real‐time information regarding objects' speed, location, and interactions with other objects. We examined blind people's learning about a chemical system of contained gas particles. The study employs a pre‐test intervention–post‐test design. Four adults participated individually in the study. They achieved most referent‐representation connections; their scientific conceptual knowledge became more specific and aligned with scientific knowledge; and their systems reasoning showed greater discrimination and relation between components. Discussion addresses learning with sound‐based mediation in broader terms and suggests further research into the potential of this unique type of low‐cost learning environment to assist blind people in their science learning.
Compaction and transport properties of newly replicated Caulobacter crescentus DNA
Authors: Hong Sun‐Hae , McAdams Harley H. 
Published: November 2011

SummaryUpon initiating replication of the Caulobacter chromosome, one copy of the parS centromere remains at the stalked pole; the other moves to the distal pole. We identified the segregation dynamics and compaction characteristics of newly replicated Caulobacter DNA during transport (highly variable from cell to cell) using time‐lapse fluorescence microscopy. The parS centromere and a length (also highly variable) of parS proximal DNA on each arm of the chromosome are segregated with the same relatively slow transport pattern as the parS locus. Newly replicated DNA further than about 100 kb from parS segregates with a different and faster pattern, while loci at 48 kb from parS segregate with the slow pattern in some cells and the fast pattern in others. The observed parS‐proximal DNA compaction characteristics have scaling properties that suggest the DNA is branched. HU2‐deletion strains exhibited a reduced compaction phenotype except near the parS site where only the ΔHU1ΔHU2 double mutant had a compaction phenotype. The chromosome shows speed‐dependent extension during translocation suggesting the DNA polymer is under tension. While DNA segregation is highly reliable and succeeds in virtually all wild‐type cells, the high degree of cell to cell variation in the segregation process is noteworthy.