bluuebunny/crossref_metadata_2025 huggingface dataset:
Neue Materialien
Authors: Lattermann Günter
Published: December 2010

Wegen der geradezu epochalen Bedeutung Knedel‐ähnlicher Strukturen bringen wir hier die deutsche Übersetzung einer bereits zum Jahreswechsel in einem der europäischen Journale erschienenen Korrespondenz. So sollen die letzten Autoren erreicht werden, die das Englische noch immer ablehnen.
Der Diplomwirtschaftschemiker
Authors: Kuball Hans‐Georg , Franz Klaus‐Peter
Published: December 2010

Sind Wirtschaftswissenschaften/Betriebswirtschaft erfolgversprechende Zusatzstudien zum Bachelor of Science im universitären Chemiestudium? Erste Empfehlungen der Fachkommission Diplomwirtschaftschemie, Unterkommission der GDCh‐Studienreformkommission, liegen vor.
Innovation trotz Regulation
Authors: Auffermann Susanne , Schroll Markus
Published: December 2010

Am Beispiel des Chemikaliengesetzes wird gezeigt, wie durch einen konstruktiven Dialog zwischen Wirtschaft und Behörden auch in etablierten Regelungsbereichen Freiräume identifiziert und ihre rechtliche Umsetzung vorangetrieben werden können. So läßt sich trotz Regulation unter Wahrung des Schutzniveaus mehr Innovation erreichen.
Mikrobielle Genomforschung in Deutschland
Authors: Hammar Friederike
Published: December 2010

Im Rahmen eines Statusseminars am 22. und 23. Januar 1998 bei der DECHEMA e. V. in Frankfurt a.M. berieten Experten aus Forschung und Industrie über die Perspektiven der mikrobiellen Genomforschung in Deutschland. Gemeinsam mit Vertretern des BMBF, der DFG und der Max Planck‐Gesellschaft wurden auch die Förderung und Finanzierung von Genomprojekten diskutiert.
Rekorde in Folge
Authors: Hanthal Hermann G.
Published: December 2010

Die Reihenfolge an der Spitze der deutschen Chemieunternehmen hat sich geändert: Mit einem Umsatz von 55,78 Milliarden DM und einem Ergebnis vor Steuern von über 5,3 Milliarden DM ist die BASF‐Gruppe wieder die Nummer 1. Fast gleichauf folgt der Bayer‐Konzern. Hoechst will sich von weiteren Arbeitsgebieten in der industriellen Chemie trennen und verzichtet auf weiteres Umsatzwachstum.
Chemiestudium in Deutschland ‐eine Bestandsaufnahme
Authors: Märkl Gottfried
Published: December 2010

Wie steht es um die Umsetzung der Neuordnung des Chemiestudiums an den deutschen Universitäten? Die Auswertung einer Umfrage der GDCh zeigt die derzeitige Studiensituation und die Vorstellungen für die zukünftige Gestaltung des Chemiestudiums an den Chemiefakultäten auf.
FCI‐Workshop Innovative Biotechnologie
Authors: Maelicke Alfred
Published: December 2010

Beim 4. Transfer‐Workshop des Fonds der Chemischen Industrie, der am 25. September bei der BASF in Ludwigshafen stattfand, trafen sich Spitzenforscher aus Grundlagenforschung und Industrie, um neueste Entwicklungen der Biotechnologie auf dem Weg vom Labor zum Produkt zu diskutieren. Der Workshop wurde zu einer Demonstration des gelungenen Aufbruchs in diese lange, in unserem Land umstrittene Zukunftstechnologie.
Theoretische Chemie 1998
Authors: Marx Dominik , Engels Bernd , Bühl Michael , Saalfrunk Peter
Published: December 2010

Im Jahr 1998 wurde erstmals der Nobelpreis für Chemie im Teilgebiet “Quantenchemie” vergeben. Walter Kohn und John A. Pople erhielten diese Auszeichnung für ihre herausragenden, komplementären Beiträge zu diesem, so das Nobelkomitee, “die gesamte Chemie revolutionierenden Teilgebiet”. Damit wurden insbesondere die bedeutenden Rollen der Dichtefunktionaltheorie sowie der praktischen Rechenmethoden der Quantenchemie gewürdigt. In unserem Trendbericht gehen wir auf davon abgeleitete und weitere wichtige Entwicklungen ein: Die “Ab‐initio‐Molekulardynamik” ‐ hinter diesem Begriff verbirgt sich eine ganze Methodenfamilie ‐ ist als Instrument zur Simulation komplexer chemischer Systeme auf dem besten Weg zum routinemäßigen Einsatz in Grundlagen‐ und anwendungsbezogener Forschung. Die Theoretische Organische Chemie stellt sich sowohl neuen Reaktionen als auch grundlegenden Problemen wie der Quantifizierung von Chiralität. Fortschritte bei der Berechnung von NMR‐ und ESR‐Parametern sowie der Vorstoß der Theorie in das Gebiet der Oberflächen und der Katalyse, bislang weitgehend dem Experiment vorbehalten, runden unsere diesjährige Übersicht ab.
Lebensmittelchemie 1998
Authors: Engel Karl‐Heinz , Winterhalter Peter
Published: December 2010

Für die Echtheitskontrolle von Lebensmitteln lassen sich eine Reihe von Methoden heranziehen. Mit Hilfe der enantioselektiven Analyse werden viele Trennprobleme für chirale Verbindungen der verschiedensten Stoffklassen lösbar. Methoden zum Nachweis gentechnisch veränderter Lebensmittel entwickeln sich rasant und gewinnen schnell an Bedeutung, denn immer mehr dieser Lebensmittel finden ihren Weg auf den Markt. Die Nachweismethoden sollten aber nicht nur für eine qualitative Angabe genügen, sondern auch quantitative Aussagen bieten.
Codessa: Korrelation berechneter Ergebnisse mit experimentellen Werten
Authors: Göller Andreas
Published: December 2010

Codessa: Kein Black‐Box‐Programm, in das man „vorne Berge von Zahlen füllt, und das hinten die Wahrheit ausgibt», sondern ein extrem flexibles Werkzeug zur Analyse von Daten‐ und von Struktur‐Eigenschafts‐Beziehungen.
In der Biotechnologie mehr auf Qualität als auf Quantität setzen
Authors: Kerk Andrea
Published: December 2010

Wissenschaftler und Industrievertreter diskutierten während der 17. Jahrestagung der Biotechnologen vom 27. bis 29. April in Wiesbaden über neueste Entwicklungen in der Biotechnologie.
MapleV— ein algebraisches Programmsystem, auch für den Chemiker
Authors: Handschuh Sandra
Published: December 2010

Während die meisten Programme zur Bearbeitung mathematischer Probleme auf der Verarbeitung von Zahlen basieren, präsentiert sich MapleV als „algebraisches Programmsystem». Mit MapleV können mathematische Zusammenhänge in symbolischer Form, also in Form von Gleichungen und Ausdrücken bearbeitet, analysiert und dargestellt werden.
Innovationsmanagement — von der Idee zum Produkt
Authors: Festel Gunter , Vilbel Bad
Published: December 2010

Als Grundlage von Produktentwicklungs‐und Markteinführungsstrategien in innovativen Unternehmen sollte die Verbindung von Technologie‐ und Marketingaspekten auf Gesamtunternehmensebene gelingen. Die besondere Bedeutung ergibt sich aus der Tatsache, daß der Markt für innovative Produkte oft unbestimmt ist und damit die Notwendigkeit besteht, im Wechselspiel zwischen F+E und Marketing den Markt für technologische Innovationen zunächst zu definieren.
Chemie mit Fluorphasen: Vorteile für Reaktionsführung und Aufarbeitung
Authors: Diederichsen U.
Published: December 2010

Synthese im Blickpunkt will zur Beschäftigung mit neuen synthetischen Verfahren oder besonders eleganten und wichtigen Synthesen aus der Literatur anregen — ohne Anspruch auf Vollständigkeit. Die Rubrik erscheint von April bis Dezember alle zwei Monate (August vorgezogen auf Juli) und wird dieses Jahr von Dr. Ulf Diederichsen, TU München, betreut.
Neue Perspektiven durch Zusatzqualifikation
Authors: Dücker Barbara , Ebert Birgit , Haselwander Thomas
Published: December 2010

Zusatzqualifikationen sind für den Berufseinstieg eines Chemikers heute wichtiger denn je. Bestimmte berufspraktische Kompetenzen werden von Hochschulen nicht in ausreichendem Maße vermittelt. Aus diesem Grund wurde das Qualifizierungsprogramm „Wirtschaftsmanagement für Chemiker”︁ ins Leben gerufen. Hier berichten Teilnehmer dieses Kurses von ihren Erfahrungen.
Die Kunst des Möglichen
Authors: Sinn Hansjörg
Published: December 2010

Der Autor dieses Beitrags — seit 1965 Professor für Angewandte Chemie an der Universität Hamburg — wurde 1978 zum Gründungspräsidenten der Technischen Universität Hamburg‐Harburg berufen, wenige Wochen später aber von der Hamburger Bürgerschaft — obwohl parteilos — einstimmig zum Senator für Wissenschaft und Forschung gewählt. Er trat 1984 zurück, weil er die Sparaktionen im Wissenschaftsbereich nicht vertreten und lieber wieder als Chemie‐Professor ein produktives Mitglied der Gesellschaft sein wollte. Er hat die GDCh von Anfang an miterlebt und beschreibt hier seine Eindrücke aus der Anfangszeit und aus seinem politischen Leben. Es erstaunt, wie sich die Bilder von heute und damals gleichen!
Helmut Ringsdorf: Grenzen überschreiten
Authors: Guggolz Ernst , Karger Gerhard
Published: December 2010

“Mehr als 50 Jahre GDCh — und das an der Schwelle zum nächsten Jahrtausend — sind sicher ein Anlaß über Grenzen nachzudenken: Grenzen zwischen Ländern, Grenzen zwischen Fächern und Grenzen für und zwischen Industrie und Hochschule.”
Self‐assembled structures in polystyrene‐block‐polyisoprene‐blend‐polystyrene and polystyrene‐block‐poly(methyl methacrylate)‐blend‐polystyrene or ‐blend‐poly(methyl methacrylate) in the strong segregation regime
Authors: Holoubek Jaroslav , Baldrian Josef , Hromádková Jiřina , Steinhart Miloš
Published: December 2010

This study deals with the investigation of microphase‐separated morphology and phase behaviour in blends of polystyrene‐block‐polyisoprene with homopolystyrene and blends of polystyrene‐block‐poly(methyl methacrylate) with homopoly(methyl methacrylate) or homopolystyrene in the strong segregation regime using small‐angle X‐ray scattering and transmission electron microscopy as a function of composition, molecular weight of homopolymers, rM and temperature. Parameter rM = MH/MC (where MH is the molecular weight of homopolymer and MC that of the corresponding block copolymer) was selected to encompass behaviour of the chains denoted as a ‘wet brush’ (i.e. rM < 1). The relative domain spacing D/Do increases in the regime 0 < rM⩽1 with increasing concentration of homopolymer wP and increasing rM but depends on the specific implemented morphology. We tested a new approximate D/Do versus wP relation in the strong segregation regime using block copolymers of high molecular weights. It is shown that the parameters rM and χ3/2N determine the slope of the D/Do versus wP relation in the strong segregation regime and the new approximation generally matches the experimental data better than the approximations used so far. Copyright © 2010 Society of Chemical Industry
Acknowledging and appreciating the full spectrum of the human condition: School Psychology's (limited) focus on positive psychological functioning
Authors: Froh Jeffrey J. , Huebner E. Scott , Youssef Al‐Jameela , Conte Vincent
Published: December 2010

This study is a content analysis of a random selection of 20% (N = 1,168) of articles from School Psychology Quarterly, Psychology in the Schools, the Journal of School Psychology, and School Psychology Review. Across the four journals, 27% of the articles had a positive focus, and the percentage of articles focused on the positive has been between 25% and 33% for the past 50 years. Of the 76 positive constructs/processes we coded for, 51% were not discussed/operationalized. Furthermore, topics that have received much recent research attention with adults and much attention in the media were rarely studied, if at all. For example, happiness was the topic of four articles, optimism was the topic of three, and purpose/meaning was the topic of none. Although studying pathology is important, we urge school psychologists to devote more attention to making contributions to a science and practice that give equal attention to positive well‐being. © 2010 Wiley Periodicals, Inc.
Hyperbranched poly(arylene ethynylene)s with triphenylamine core for polymer light‐emitting diodes
Authors: Palai Akshaya K. , Mishra Sarada P. , Kumar Amit , Srivastava Ritu , Kamalasanan Modeeparampil N. , Patri Manoranjan
Published: December 2010

A series of light‐emitting hyperbranched poly(arylene ethynylene)s (HB‐PAEs) were prepared by the Sonogashira coupling from bisethynyl of carbazole, fluorene, or dialkoxybenzenes (A2 type) and tris(4‐iodophenyl)amine (B3 type). For comparison, two linear polymers (L‐PAEs) of the HB analogs were also synthesized. The polymers were characterized by Fourier transform infrared, NMR, and GPC. The HB polymers showed excellent solubility in chloroform, THF, and chlorobenzene when compared with their linear analogs. The number‐average molecular weight (Mn) of the polymers determined from GPC was found to be in the range of 18,600–34,200. The polymers were thermally stable up to 298–330 °C with only 5% weight loss. The absorption maxima of the polymers were between 354 and 411 nm with optical band gap in the range of 2.5–2.9 eV. The HB polymers were found to be highly fluorescent with photoluminescence quantum yields around 33–42%. The highest occupied molecular orbital energy levels of the polymers calculated from onset oxidation potentials were found to be in the range from −5.83 to −6.20 eV. Electroluminescence (EL) properties of three HB‐PAEs and one L‐PAE were investigated with device configuration ITO/PEDOT:PSS/Polymer/LiF/Al. The EL maxima of HB‐PAEs were found to be in the range of 507–558 nm with turn‐on voltages around 7.5–10 V and maximum brightness values of 316–490 cd/m2. At the same time, linear analog of one HB‐PAE was found to show a maximum brightness of 300 cd/m2 at a turn‐on voltage of 8.2 V. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Degradation of poly(butyl methacrylate) model compounds studied via high‐resolution electrospray ionization mass spectrometry
Authors: Soeriyadi Alexander H. , Bennet Francesca , Whittaker Michael R. , Barker Philip J. , Barner‐Kowollik Christopher , Davis Thomas P.
Published: December 2010

This study investigates the degradation behavior of poly(n‐butyl methacrylate) (p(nBMA)), poly(tert‐butyl methacrylate) (p(tBMA)), and poly(hexafluoro butyl methacrylate) (p(HFBMA)) on a molecular level under extreme environmental conditions. The polymers chosen are readily applicable in the formulation of surface coatings and were degraded under conditions which replicated the harsh Australian climate, in which surface coatings may reach temperatures of up to 95 °C and are exposed to broad‐spectrum UV radiation of up to 1 kW m−2. The degradation profiles were mapped with high‐resolution electrospray ionization mass spectrometry (ESI‐MS) with a LCQ quadrupole ion trap mass analyzer, with the peak assignments confirmed to within 3 ppm using ESI‐MS with a LTQ‐Orbitrap mass detector. It was found that in all the butyl ester polymers analyzed herein—regardless of their tertiary side‐chain structure—the loss of the butyl ester group and subsequent formation of acid side groups are a component of the overall degradation pathway of poly(butyl methacrylate)s under these harsh conditions. However, it is also demonstrated that the magnitude of this pathway is intimately linked to the side‐chain structure with the propensity for degradation decreasing in the order p(tBMA) > p(nBMA) > p(HFBMA). The degradation mechanisms identified in this study, in combination with the previous end‐group degradation studies of poly(methyl methacrylate) and poly(n‐butyl acrylate), have allowed a much deeper understanding of the molecular degradation behavior of poly(acrylate)s and poly(methacrylate)s in an extreme natural environment. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011
Specificity and cooperativity at β‐lactamase position 104 in TEM‐1/BLIP and SHV‐1/BLIP interactions
Authors: Hanes Melinda S. , Reynolds Kimberly A. , McNamara Case , Ghosh Partho , Bonomo Robert A. , Kirsch Jack F. , Handel Tracy M.
Published: December 2010

Establishing a quantitative understanding of the determinants of affinity in protein–protein interactions remains challenging. For example, TEM‐1/β‐lactamase inhibitor protein (BLIP) and SHV‐1/BLIP are homologous β‐lactamase/β‐lactamase inhibitor protein complexes with disparate Kd values (3 nM and 2 μM, respectively), and a single substitution, D104E in SHV‐1, results in a 1000‐fold enhancement in binding affinity. In TEM‐1, E104 participates in a salt bridge with BLIP K74, whereas the corresponding SHV‐1 D104 does not in the wild type SHV‐1/BLIP co‐structure. Here, we present a 1.6 Å crystal structure of the SHV‐1 D104E/BLIP complex that demonstrates that this point mutation restores this salt bridge. Additionally, mutation of a neighboring residue, BLIP E73M, results in salt bridge formation between SHV‐1 D104 and BLIP K74 and a 400‐fold increase in binding affinity. To understand how this salt bridge contributes to complex affinity, the cooperativity between the E/K or D/K salt bridge pair and a neighboring hot spot residue (BLIP F142) was investigated using double mutant cycle analyses in the background of the E73M mutation. We find that BLIP F142 cooperatively stabilizes both interactions, illustrating how a single mutation at a hot spot position can drive large perturbations in interface stability and specificity through a cooperative interaction network. Proteins 2011. © 2011 Wiley‐Liss, Inc.
Genetic identity of the Bemisia tabaci species complex and association with high cotton leaf curl disease (CLCuD) incidence in Pakistan
Authors: Ahmed Muhammad Z , De Barro Paul J , Greeff Jaco M , Ren Shun‐Xiang , Naveed Muhammad , Qiu Bao‐Li
Published: December 2010

BACKGROUND: The cotton whitefly, Bemisia tabaci (Gennadius), is a cryptic species complex, and members of the complex have become serious pests in Pakistan because of their feeding and their ability to transmit cotton leaf curl virus (CLCuV). Here, an analysis was made of the identity of B. tabaci collected from cotton and a range of non‐cotton hosts in the cotton‐growing zones in Punjab and Sindh, the main cotton‐producing provinces of Pakistan, using a portion of the mitochondrial cytochrome oxidase 1 gene. The geographic distribution of the different members of the complex was then compared with the incidence of CLCuD.

RESULTS: Using the Dinsdale nomenclature, the results revealed three putative species, Asia 1, Asia II 1 and Middle East‐Asia Minor 1. Asia II 1 (also referred to in the literature as biotypes K, P, PCG‐1, PK1, SY and ZHJ2) was only recorded from Punjab cotton plants, whereas Asia 1 (also referred to in the literature as biotypes H, M, NA and PCG‐2) was found in both Sindh and Punjab. Middle East‐Asia Minor 1 (commonly known as biotype B and B2) was found only in Sindh. Moreover, Asia II 1 was associated with high incidences of CLCuD, whereas regions where Middle East‐Asia Minor 1 was present had a lower incidence. Phylogenetic analysis showed that the Middle East‐Asia Minor 1 population in Sindh formed a distinct genetic subgroup within the putative species, suggesting that the Sindh province of Pakistan may form part of its home range. So far, no individuals from the putative species Mediterranean (commonly known as biotypes Q, J and L) have been found in Pakistan.

CONCLUSIONS: The capacity to manage pests and disease effectively relies on knowledge of the identity of the agents causing the damage. In the case of CLCuD in Pakistan, this knowledge has been obscured to some extent because of the inconsistent approach to identifying and distinguishing the different B. tabaci associated with CLCuD. The situation has now been clarified, and a strong association between disease incidence and vector identity and abundance has been shown. Given this advance, future research can now focus on factors that influence the capacity of different vector species to transmit the viruses that cause CLCuD, the reason for differences in vector abundance and the lack of geographic overlap between the cryptic vector species. This knowledge will contribute to the development of improved methods with which to manage the disease in Pakistan. Copyright © 2010 Society of Chemical Industry
Characterization of the cytochrome b (cyt b) gene from Monilinia species causing brown rot of stone and pome fruit and its significance in the development of QoI resistance
Authors: Hily Jean‐Michel , Singer Stacy D , Villani Sara M , Cox Kerik D
Published: December 2010

BACKGROUND: Quinone outside inhibitor (QoI) resistance as a consequence of point mutations in the cytochrome b (cyt b) gene has been reported in numerous plant pathogenic fungi. To examine the potential for QoI resistance development in those Monilinia species causing brown rot of stone and pome fruits [Monilinia fructicola (G Winter) Honey, M. laxa (Aderhold & Ruhland) Honey and M. fructigena (Aderhold & Ruhland) Honey], an examination was made of the sequence and exon/intron structure of their cyt b genes for the presence of any point mutations and/or introns commonly associated with resistance to QoIs in fungal plant pathogens.

RESULTS: None of the point mutations typically linked to QoI resistance was present in any of the Monilinia isolates examined. Furthermore, the cyt b genes from M. fructicola and M. laxa, but not M. fructigena, possessed a group‐I‐like intron directly after codon 143. Based on the results obtained, a simple PCR assay using a single primer pair was developed, allowing discrimination between the three Monilinia species without the need for culturing.

CONCLUSIONS: Results suggest that resistance to QoI fungicides based on the G143A mutation is not likely to occur in M. fructicola or M. laxa. Conversely, M. fructigena may be at higher risk for developing QoI resistance owing to the absence of a G143‐associated intron. Copyright © 2010 Society of Chemical Industry
Contradictions in host plant resistance to pests: spider mite (Tetranychus urticae Koch) behaviour undermines the potential resistance of smooth‐leaved cotton (Gossypium hirsutum L.)
Authors: Reddall Amelia A , Sadras Victor O , Wilson Lewis J , Gregg Peter C
Published: December 2010

BACKGROUND: Two‐spotted spider mites (Tetranychus urticae Koch) oviposit near leaf veins or in leaf folds on the undersides of cotton (Gossypium hirsutum L.) leaves where the humid boundary layer offers protection from desiccation. The authors predicted that the boundary layer of glabrous cotton leaves should be shallower than that of hairy leaves, providing some resistance to mites. The dynamics of mite populations, leaf damage, leaf gas exchange and crop yield on two leaf hair isolines (smooth versus hairy) in two genetic backgrounds was assessed.

RESULTS: Mite colonies developed faster on the hairy leaf isolines, but leaf damage per mite was higher in smooth leaf isolines, indicating more intense damage. A 50% reduction in photosynthesis on the hairy isolines required 1.8 times more mites than smooth leaves. The yield of cotton was reduced in + mite treatments, but the magnitude of reduction was similar for hairy and smooth isolines.

CONCLUSION: Paradoxically, the relative inhospitality of glabrous leaves may have induced mites to concentrate in protected leaf sections, causing more localised and more severe damage, negating the yield benefits from fewer mites. These results highlight interactions between leaf microenvironment, pest behaviour and plant productivity that may have implications for other instances of plant resistance. Copyright © 2010 Society of Chemical Industry
Modelling lifetime degradation in boron‐doped Czochralski silicon
Authors: Voronkov Vladimir V. , Falster Robert , Batunina Anna V.
Published: December 2010

Electron lifetime in boron‐ and oxygen‐containing silicon is known to decrease under illumination. The emerging recombination centre was previously thought to be a complex BsO2, of a substitutional boron atom and an oxygen dimer. However this attribution has turned out to be inconsistent with recently published data. A new model was proposed, based on a latent single‐positive complex BiO2 that involves an interstitial boron atom Bi rather than Bs. Excess electrons lead to recharging the latent BiO2 centre into the neutral state, with subsequent reconstruction into recombination‐active configuration. This model was used to simulate the reported data on production of recombination centres, in a wide range of applied illumination intensity – and found to provide a good reproduction of the data.
Defect delineation by chemical etching techniques in silicon and engineered silicon substrates: Novel chemistries and basic aspects
Authors: Kolbesen Bernd O. , Mähliß Jochen , Possner Daniel
Published: December 2010

Preferential etching techniques in combination with light optical microscopy are still the workhorse for the evaluation of defect types and area densities in engineered silicon substrates such as silicon‐on‐insulator (SOI) wafers. Most etching recipes are based on chromium (VI) compounds as oxidizing agent. Since in the meantime the use of carcinogenic Cr (VI) compounds is restricted by law there is a need for Cr‐free recipes with adequate or superior defect delineation performance. We present novel Cr‐free etching chemistries based on organic peracids or on organic oxidizing agents (OOE) such as benzoquinone and derivatives in organic solvents. Some of these have very low removal rates (nm/min at 25 °C), are very defect sensitive and are especially suitable for the application on thin (<50 nm) SOI films. Preferential etching solutions can be characterized by parameters like removal rate, activation energy for the etching process and selectivity. The selectivity describes the ratio of the removal at the crystal defect and at the perfect crystal. In this work the selectivity was determined experimentally on dislocations for various defect etching chemistries. Dislocations were generated by damaging silicon substrates by controlled indentation with a diamond tip and subsequent annealing at 1000 °C. After preferential etching the depth of etch pits was measured by an atomic force microscope. The activation energy was evaluated via an Arrhenius plot of the temperature dependent etch rates. At the dislocations the activation energies are reduced by about 5%. For the various defect etching chemistries selectivities in the range of 1.5–2.5 were found.
Analysis and development of structure‐fragmentation relationships in withanolides using an electrospray ionization quadropole time‐of‐flight tandem mass spectrometry hybrid instrument
Authors: Musharraf Syed Ghulam , Ali Arslan , Ali Rahat Azher , Yousuf Sammer , Rahman Atta‐ur‐ , Choudhary M. Iqbal
Published: December 2010

Structural elucidation and gas‐phase fragmentation of ten withanolides (steroidal lactones) were studied using a positive ion electrospray ionization quadropole time‐of‐flight mass spectrometry (ESI‐QqTOF‐MS/MS) hybrid instrument. Withanolides form an important class of plant secondary metabolites, known to possess a variety of biological activities. Withanolides which possess hydroxyl groups at C‐4, C‐5, C‐17, C‐20, and C‐27, and an epoxy group at C‐5/C‐6, were evaluated to determine the characteristic fragments and their possible pathways. ESI‐QqTOF‐MS (positive ion mode) showed the presence of the protonated molecules [M + H]+. Low‐energy collision‐induced dissociation tandem mass spectrometric (CID‐MS/MS) analysis of the protonated molecule [M + H]+ indicated multiple losses of water and the removal of the C‐17‐substituted lactone moiety affording the [M + H–Lac]+ product ion as the predominant pathways. However, withanolides containing a hydroxyl group at C‐24 of the lactone moiety showed a different fragmentation pathway, which include the loss of steroidal part as a neutral molecule, with highly diagnostic ions at m/z 95 and 67 being generated from the cleavage of lactone moiety. Our results also determined the influence of the presence and positions of hydroxyl and epoxy groups on product ion formation and stability. Moreover, the knowledge of the fragmentation pattern was utilized in rapid identification of withanolides by the LC/MS/MS analysis of a Withania somnifera extract. Copyright © 2010 John Wiley & Sons, Ltd.
The reactions of a series of terpenoids with H3O+, NO+ and O studied using selected ion flow tube mass spectrometry
Authors: Amadei Gianluca , Ross Brian M.
Published: December 2010

The reactions of H3O+, NO+ and O with twelve terpenoids and one terpene, all of which occur naturally in plants and which possess important smell and flavourant properties, were characterized using Selected Ion Flow Tube Mass Spectrometry (SIFT‐MS). The H3O+ reactions resulted primarily in the formation of the proton transfer product and occasionally in a water elimination product. The NO+ reactions instead generated the charge transfer product or NO+ adducts, and occasionally alkyl fragments, or resulted in hydride abstraction. Reaction with O caused a higher fragmentation of the terpenoids with the molecular ion being the minor product of most reactions. Identification and quantification of each compound in complex mixtures are probably possible in most cases using the H3O+ and/or NO+ precursors while O may be useful for isomer discrimination. Our data suggests that SIFT‐MS may be a useful tool for the rapid analysis of these compounds in plants and derived foodstuffs. Copyright © 2010 John Wiley & Sons, Ltd.
Dansyl labeling and bidimensional mass spectrometry to investigate protein carbonylation
Authors: Palmese Angelo , Rosa Chiara De , Marino Gennaro , Amoresano Angela
Published: December 2010

Carbonylation is a non‐enzymatic irreversible post‐translational modification. The adduction of carbonyl groups to proteins is due to the presence of excess of ROS in cells. Carbonylation of specific amino acid side chains is one of the most abundant consequences of oxidative stress; therefore, the determination of carbonyl groups content in proteins is regarded as a reliable way to estimate the cellular damage caused by oxidative stress. This paper reports a novel RIGhT (Reporter Ion Generating Tag) (A. Amoresano, G. Monti, C. Cirulli, G. Marino. Rapid Commun. Mass Spectrom. 2006, 20, 1400) approach for selective labeling of carbonyl groups in proteins using dansylhydrazide, coupled with selective analysis by bidimensional mass spectrometry. We first applied this approach to ribonuclease A and lysozyme as model proteins. According to the so‐called 'gel‐free procedures', the analysis is carried out at the level of peptides following tryptic digest of the whole protein mixture. Modified RNaseA was analyzed in combined MS2 and MS3 scan mode, to specifically select the dansylated species taking advantage of the dansyl‐specific fragmentation pathways. This combination allowed us to obtain a significant increase in signal/noise ratio and a significant increase in sensitivity of analysis, due to the reduction of duty cycle of the mass spectrometer. The unique signal obtained was correlated to peptide 1‐10 of RNaseA carbonylated and labeled by dansylhydrazide. This strategy represents the first method leading to the direct identification of the carbonylation sites in proteins, thus indicating the feasibility of this strategy to investigate protein carbonylation in a proteomic approach. Copyright © 2010 John Wiley & Sons, Ltd.
Streamflow variability in the Southern Appalachians and atmospheric teleconnections
Authors: Sen A. K.
Published: December 2010

We have examined streamflow variability in the Southern Appalachian region of the United States for the period 1950–2009. In particular, we have analysed the monthly discharge time series at two stations along the following rivers in North Carolina: (1) Little Tennessee River (LTR) near Prentiss and (2) French Broad River in Asheville. These two gauging stations are part of the Hydro‐Climatic Data Network (HCDN) system. The HCDN system was developed by the United States Geological Survey (USGS) to provide a long‐term database for tracking changes in flow and water quality of streams and rivers, with minimal human interventions. Using continuous wavelet transform (CWT), we have identified the dominant oscillatory modes in the monthly discharge data at these two rivers, and delineated the time intervals over which these modes may persist. It is found that in addition to the annual hydrologic cycle, the monthly discharge fluctuates at interannual timescales. These interannual variations may be linked to the Pacific North American (PNA) teleconnection pattern. Knowledge of the interannual periodicities may be useful for understanding long‐term streamflow variability in the Southern Appalachian region. Understanding patterns of streamflow variability may be important for water resources management operations in the surrounding area. Copyright © 2010 John Wiley & Sons, Ltd.
Tailoring Plasmonic Nanostructures for Optimal SERS Sensing of Small Molecules and Large Microorganisms
Authors: Xu Jiajie , Zhang Lei , Gong Heng , Homola Jir˘í , Yu Qiuming
Published: December 2010

Local electric fields can be tuned dramatically by varying the diameter of quasi‐3D gold plasmonic nanostructure arrays, as indicated by 3D finite‐difference time‐domain calculations. Utilizing quasi‐3D arrays that exhibit a maximum electric field intensity (i.e., a “hot” spot) either at the bottom (gold nanodisks) or on the top (gold film patterned with nanoholes), the optimal surface‐enhanced Raman scattering (SERS) sensitivity for the detection of small molecules or large microorganisms can be achieved. The precisely fabricated and optimized SERS‐active quasi‐3D nanostructure arrays make it possible to quantitatively and reproducibly detect chemical and biological species using SERS, leading to a new sensing platform with molecular specificity based on SERS for many important applications.
Fluorinated graphene: Fluorographene: A Two‐Dimensional Counterpart of Teflon (Small 24/2010)
Authors: Nair Rahul R. , Ren Wencai , Jalil Rashid , Riaz Ibtsam , Kravets Vasyl G. , Britnell Liam , Blake Peter , Schedin Fredrik , Mayorov Alexander S. , Yuan Shengjun , Katsnelson Mikhail I. , Cheng Hui‐Ming , Strupinski Wlodek , Bulusheva Lyubov G. , Okotrub Alexander V. , Grigorieva Irina V. , Grigorenko Alexander N. , Novoselov Kostya S. , Geim Andre K.
Published: December 2010

A stoichiometric derivative of graphene with a fluorine atom attached to each carbon is reported. Raman, optical, structural, micromechanical, and transport studies show that the material is qualitatively different from the known graphene‐based nonstoichiometric derivatives. Fluorographene is a high‐quality insulator (resistivity >1012 Ω) with an optical gap of 3 eV. It inherits the mechanical strength of graphene, exhibiting a Young’s modulus of 100 N m−1 and sustaining strains of 15%. Fluorographene is inert and stable up to 400 °C even in air, similar to Teflon.
Energy transfer: Visualizing Resonance Energy Transfer in Supramolecular Surface Patterns of β‐CD‐Functionalized Quantum Dot Hosts and Organic Dye Guests by Fluorescence Lifetime Imaging (Small 24/2010)
Authors: Dorokhin Denis , Hsu Shu‐Han , Tomczak Nikodem , Blum Christian , Subramaniam Vinod , Huskens Jurriaan , Reinhoudt David N. , Velders Aldrik H. , Vancso G. Julius
Published: December 2010

Detection of an analyte via supramolecular host–guest binding and quantum dot (QD)‐based fluorescence resonance energy transfer (FRET) signal transduction mechanism is demonstrated. Surface patterns consisting of CdSe/ZnS QDs functionalized at their periphery with β‐cyclodextrin (β‐CD) were obtained by immobilization of the QDs from solution onto glass substrates patterned with adamantyl‐terminated poly(propylene imine) dendrimeric “glue.” Subsequent formation of host–guest complexes between vacant β‐CD on the QD surface and an adamantyl‐functionalized lissamine rhodamine resulting in FRET was confirmed by fluorescence microscopy, spectroscopy, and fluorescence lifetime imaging microscopy (FLIM).
Progressive collapse analysis of a steel building with pre‐northridge moment connections
Authors: Purasinghe Rupa , Nguyen Cuong , Gebhart Kenneth
Published: December 2010

This study is on progressive collapse analysis of a sample steel building using various procedures suggested by the General Service Administration and the Department of Defense. The progressive collapse was accommodated by removing columns as per above guidelines. The analysis methods considered were linear static, linear dynamic, non‐linear static and nonlinear dynamic using SAP2000 structural simulation program. The analysis model was a 3D nine‐storey steel moment resisting building. For linear analysis, rigid moment connections were used, while for nonlinear analysis pre‐Northridge connections were used. The effect of an extreme event was incorporated by removing a column in the analysis model. The static analysis was performed on the model with a column removed subjected to static gravity loadings. The dynamic analysis employed a ramp function to simulate the dynamic effect of the removal of a column. For nonlinear analysis, material nonlinearity was incorporated using strength degrading nonlinear hinges of pre‐Northridge connections as per FEMA 356. The paper documents the results of this analysis with comparison among methods. The potential for collapse and performance levels of the building were determined using the demand capacity ratio and the rotational limit obtained through the analysis. Copyright © 2010 John Wiley & Sons, Ltd.
Considering rupture directivity effects, which structures should be named ‘long‐period buildings’?
Authors: Ghahari S. Farid , Khaloo A. Reza
Published: December 2010

Recorded accelerograms in the regions near active faults may have specific characteristics that inclusion of their effects on the response of structures is necessary. Of particular importance are permanent displacement, i.e. fling‐step, rupture directivity pulses and high‐frequency content. Several researchers have focused on the effects of rupture directivity pulses on response of structures. They have shown that long‐period structures are severely affected by these types of excitations. However, in near‐fault regions, the question ‘which building structures are long period?’ has not been clearly and quantitatively answered. In this paper, responses of 10‐, 20‐, 30‐ and 40‐story steel structures designed based on Uniform Building Code 1997 regulations are investigated under artificial pulses produced by directivity effects. It is shown that, considering rupture directivity effects, a long‐period structure is the one that has a first‐mode period–to–pulse period ratio greater than about 0.44. Furthermore, the effects of variations in the period of the near‐fault velocity pulses on the characteristics of inelastic response of structures are examined. Consequently, analysis of the structures experiencing actual near‐fault records indicates that the pattern of response spectrum obtained from artificial pulses presents the behavior of the structure under real near‐fault earthquakes rather accurately. Copyright © 2010 John Wiley & Sons, Ltd.
Factors associated with partial and complete regression of fetal lung lesions
Authors: Hadchouel A. , Benachi A. , Revillon Y. , Rousseau V. , Martinovic J. , Verkarre V. , Dumez Y. , Delacourt C.
Published: December 2010

Objective

A decrease in the volume of congenital pulmonary malformations (CPM) can be observed on prenatal ultrasonography, but the underlying mechanism for this phenomenon is unknown. Our objective was to identify factors associated with the prenatal reduction in size of cystic and/or hyperechoic lung lesions.

Methods

This was a retrospective study of cases with a prenatal diagnosis of hyperechoic and/or cystic lung lesion. The extent of reduction in lesion size was calculated from ultrasound measurements. Clinical, ultrasound, radiological and histological data were tested for their relationship with prenatal CPM reduction.

Results

In a 4‐year period, 36 patients were referred with a cystic and/or hyperechoic fetal lung lesion diagnosed at a mean gestational age of 23.4 weeks. The lesions were cystic in 16 cases (44%), hyperechoic in 12 (33%) and both in eight (22%). The malformation was no longer visible before birth (apparent disappearance) in nine cases (25%), shrank by 18–90% in 15 (42%) and did not reduce in 12 (33%). Findings on postnatal computed tomography were always abnormal. Isolated hyperechoic lesions were significantly more likely to shrink in utero. The mean reductions were 79%, 35% and 19%, for isolated hyperechoic, cystic and mixed lesions, respectively (P = 0.001). Only 8% of hyperechoic lesions demonstrated no volume reduction, as compared to 50% and 42% of cystic and mixed lesions, respectively (P = 0.03). Greater gestational age at birth was also associated with a decrease in the incidence of malformations (P = 0.02). In cases that underwent surgery, hyperechoic lesions were linked to a variety of pathological diagnoses, whereas cystic lesions were all described histologically as congenital cystic adenomatoid malformations.

Conclusions

Prenatal size reduction of fetal lung malformations is associated with isolated hyperechogenicity and greater gestational age at birth. This might result from the resumption of normal lung development after local disruption of lung growth. Copyright © 2011 ISUOG. Published by John Wiley & Sons, Ltd.
Sex, gender, coping, and self‐efficacy: Mediation of sex differences in pain perception in children and adolescents
Authors: Vierhausl Marc , Lohaus Arnold , Schmitz Anne‐Katharina
Published: December 2010

Sex differences in pain perception have been reported in an expanding literature based on adult samples in epidemiological as well as laboratory studies. Especially with respect to the latter, studies with children and adolescents do not consistently show that females report higher pain ratings and display lower pain tolerance than males. The first aim of the presented studies is to comparably examine sex differences in children and adolescents based on experimental and questionnaire approach indices of pain perception. The second aim is to examine the contribution of three prominent psychosocial factors (gender‐role expectations, coping with pain, and pain self‐efficacy) to these sex differences. In Study 1, a total of 118 children and adolescents from grades 5 to 9 were tested with the Cold Pressor Task (CPT) and a Pain Perception Questionnaire. In Study 2, 148 participants additionally reported on their gender‐role expectations, coping with pain, and pain self‐efficacy. Although the results reveal only medium‐sized correlations between the CPT and the questionnaire measures, both measures indicate substantial sex differences in pain perception in both studies. In Study 2, sex differences are also present for masculinity, femininity, catastrophizing as well as pain self‐efficacy. However, while the relation between sex and the CPT rating is partially mediated by pain self‐efficacy, catastrophizing partially mediates the relation between sex and the questionnaire based pain ratings. The results of both studies are discussed with respect to the difference between experimental assessments of pain perception and assessments by questionnaire in children and adolescents.
Hippocampus, amygdala and global brain changes 10 years after childhood traumatic brain injury
Authors: Beauchamp M.H. , Ditchfield M. , Maller J.J. , Catroppa C. , Godfrey C. , Rosenfeld J.V. , Kean M.J. , Anderson V.A.
Published: December 2010

Traumatic brain injury (TBI) in children results in damage to the developing brain, particularly in severely injured individuals. Little is known, however, of the long‐term structural aspects of the brain following childhood TBI. This study investigated the integrity of the brain 10 years post‐TBI using magnetic resonance imaging volumetrics in a sample of 49 participants with mild, moderate and severe TBI, evaluated against a normative sample of 20 individuals from a pediatric database with comparable age and gender distribution. Structural integrity was investigated in gray and white matter, and by manually segmenting two regions of interest (hippocampus, amygdala), potentially vulnerable to the effects of childhood TBI. The results indicate that more severe injuries caused a reduction in gray and white brain matter, while all TBI severity levels resulted in increased volumes of cerebrospinal fluid and smaller hippocampal volumes. In addition, enlarged amygdala volumes were detected in severely injured patients compared to their mild and moderate counterparts, suggesting that childhood TBI may disrupt the development of certain brain regions through diffuse pathological changes. The findings highlight the lasting impact of childhood TBI on the brain and the importance of monitoring brain structure in the long‐term after early injury.
Vatican Involvement in the Irish Civil War: Monsignor Salvatore Luzio's Apostolic Delegation, March–May 1923
Authors: McCABE M. P.
Published: December 2010

This article examines the delegation of Monsignor Salvatore Luzio to the Irish Free State between March and May 1923, and the reactions of the Irish Catholic bishops, who had proclaimed their support for the government of the Free State, and of militant republicans, who opposed it. The bishops viewed the mission with trepidation, fearing the damage that it could do to their authority, while the republicans deemed it and Luzio potential assets. Newly-released Vatican papers also allow for the inclusion of Luzio's perspective on the mission and his strongly worded criticism of the Irish hierarchy.
Reduced auxiliaries in early child language: Converging observational and experimental evidence from French
Authors: DYE CRISTINA D.
Published: December 2010

Since early studies in language development, scholars have noticed that function words, in particular auxiliaries, often appear to be missing in early speech, with the result that child utterances sometimes exhibit verbs with non-finite morphology in seemingly matrix clauses. This has led to the idea of a ‘deficit’ in the child's syntactic representations. In contrast with previous studies, this article explores the possibility that the child'sphonologymay considerably impact her overt realization of auxiliaries. Specifically, it examines the hypothesis that non-finite verbs in early speech are in fact attempted periphrastics (i.e. auxiliary/modal+non-finite verb) in which the auxiliaries are just reduced phonetically, often to the point where they remain unpronounced. We studied 28 normally developing French-speaking children aged between 23 and 37 months. New observational data uncovered a continuum in a given child's phonetic realizations of auxiliaries. Children showed various levels of auxiliary reduction, suggesting that their non-finite verbs are best analyzed as being part of periphrastics involving an auxiliary form that represents the endpoint on this continuum, i.e. is (completely) deleted. Further examination of these verbs revealed that their semantics corresponds to the semantics of adult periphrastics. Additionally, the results of an experiment where children imitated sentences with either periphrastic or synthetic verbs showed that responses with non-finite verbs were predominantly produced when the target sentence involved a periphrastic, rather than a synthetic verb.