bluuebunny/crossref_metadata_2025 huggingface dataset:
The relative impact of meteorological observations in the Norwegian regional model as determined using an energy norm‐based approach
Authors: Storto Andrea , Randriamampianina Roger
Published: February 2010

The sensitivity of the forecasts to different observation groups is evaluated by comparing moist total energy norm‐based cost functions within the HARMONIE/Norway regional model. We quantify the quality loss associated to each observation type. The use of a localisation operator has allowed us to obtain results for the whole domain and for the area of continental Norway only, as well as for different vertical sub‐regions of the atmosphere. Results show a prominent role of in situ observations for short‐range forecasts, while for medium‐range forecasts microwave satellite observations result in the largest impact, especially the AMSU‐A channels peaking within the troposphere. Copyright © 2010 Royal Meteorological Society
Independent and dependent contributions of advanced maternal and paternal ages to autism risk
Authors: Shelton Janie F. , Tancredi Daniel J. , Hertz‐Picciotto Irva
Published: February 2010

Reports on autism and parental age have yielded conflicting results on whether mothers, fathers, or both, contribute to increased risk. We analyzed restricted strata of parental age in a 10‐year California birth cohort to determine the independent or dependent effect from each parent. Autism cases from California Department of Developmental Services records were linked to State birth files (1990–1999). Only singleton births with complete data on parental age and education were included (n=4,947,935, cases=12,159). In multivariate logistic regression models, advancing maternal age increased risk for autism monotonically regardless of the paternal age. Compared with mothers 25–29 years of age, the adjusted odds ratio (aOR) for mothers 40+ years was 1.51 (95% CI: 1.35–1.70), or compared with mothers <25 years of age, aOR=1.77 (95% CI, 1.56–2.00). In contrast, autism risk was associated with advancing paternal age primarily among mothers <30: aOR=1.59 (95% CI, 1.37–1.85) comparing fathers 40+ vs. 25–29 years of age. However, among mothers >30, the aOR was 1.13 (95% CI, 1.01–1.27) for fathers 40+ vs. 25–29 years of age, almost identical to the aOR for fathers <25 years. Based on the first examination of heterogeneity in parental age effects, it appears that women's risk for delivering a child who develops autism increases throughout their reproductive years whereas father's age confers increased risk for autism when mothers are <30, but has little effect when mothers are past age 30. We also calculated that the recent trend towards delayed childbearing contributed approximately a 4.6% increase in autism diagnoses in California over the decade.
Nachträgliche Verstärkung gemauerter Tragwerke mit Faserverbundwerkstoffen
Authors: Seim Werner , Pfeiffer Uwe , Vogt Tobias
Published: February 2010

Gemauerte Konstruktionen lassen sich sehr effektiv mit Faserverbundwerkstoffen nachträglich verstärken. Dabei ist es sinnvoll, den Faserverbundwerkstoff direkt auf der Mauerwerksoberfläche durch das Einlegen von Fasergelegen in eine Klebstoffmatrix herzustellen. Anwendungsgebiete dieses Verfahrens sind die Umschnürung gemauerter Pfeiler, die Verstärkung von Wänden unter Scheibenbeanspruchung und die zugfeste Bewehrung biegebeanspruchter Bauteile. Die wichtigsten Ergebnisse umfangreicher experimenteller Untersuchungen, die an der Universität Kassel in den vergangenen Jahren durchgeführt wurden, werden vorgestellt und erläutert.

Post‐strengthening of masonry structures with fibre reinforced polymers. Fiber reinforced polymeres can be used effectively for post‐strengthening of masonry structures. In this context it is reasonable to manufacture the FRP material by wet‐lay‐up directly on the surface of the masonry structure. Possible applications of the method are the confinement of columns as well as post‐strengthening of in‐plane and out‐of‐plane loaded structures. The main results of experimental research carried out at the University of Kassel during the last years will be presented.
CLIBOT – ein seilkletternder Roboter zur Bauwerksinspektion
Authors: Schober Thoralf
Published: February 2010

CLIBOT ist ein kletternder Roboter, der für die Inspektion/Überwachung von Bauwerks‐Oberflächen unter besonderer Berücksichtigung der Denkmalpflege entwickelt wurde. Damit können große Einsparpotentiale realisiert und eine Reduzierung von für Menschen gefährliche Arbeit erreicht werden.

Eine Vielzahl von Kletter‐Methoden wurde diskutiert und bewertet. Seilklettern mit Klauen erwies sich als bester Kompromiss zwischen Sicherheit und Funktionalität. Klettern mit dünnem Seil oder Draht als Steighilfe stellte sich als besonders geeignet für den Denkmalpflegebereich heraus. Der Roboter wurde aus sog. Off‐the‐shelf‐Komponenten (handelsübliche Standardbauteile) aufgebaut und ist autark. Speziell konzipierte Klauen ermöglichen eine ausreichende Haftung an vertikalen Seilen. Ein minimierter Kletter‐Algorithmus ermöglicht eine einfache Konstruktion der Antriebseinheit. Eine digitale Kamera, die an der Unterseite des Roboters befestigt ist, ermöglicht das Senden eines Video‐Signals für die visuelle Unterstützung. Das Auslösen der Kamera und die Auf‐ und Abwärtsbewegungen des Roboters werden per Funk ferngesteuert. Umfangreiche Tests im praktischen Einsatz zeigten die gute Eignung des gewählten Konzepts.

CLIBOT – a rope climbing robot for building surface inspection.CLIBOT is a rope climbing robot developed for inspection tasks on building surfaces under special consideration of conservatory purposes. Great savings potential and a reduction of hazardous human work can be achieved.

A variety of climbing methods is discussed and evaluated. Rope climbing by claws turned out as the best compromise between safety and functionality and a thin rope or wire as climbing aid is modest enough for conservatory requirements.The robot was constructed from off‐the‐shelf components and is selfsupported. Special designed claws enable a sufficient grip at vertical ropes. A minimized climbing algorithm allows a simple construction of the drive unit. A digital camera attached at the bottom of the robot is sending a video signal for visual assistance. Triggering the camera and the up and down movement of the robot is remotely controlled by radio link. Extensive tests in practical environements showed the good suitability of that chosen concept.
Optimization of the fermentation media for sophorolipid production from Candida bombicola ATCC 22214 using a simplex centroid design
Authors: Rispoli Fred J. , Badia Daniel , Shah Vishal
Published: February 2010

This article describes the use of a simplex centroid mixture experimental design to optimize the fermentation medium in the production of sophorolipids (SLs) using Candida bombicola. In the first stage, 16 media ingredients were screened for the ones that have the most positive influence on the SL production. The sixteen ingredients that were chosen are five different carbohydrates (fructose, glucose, glycerol, lactose, and sucrose), five different nitrogen sources (malt extract, peptone extract, soytone, urea, and yeast extract), two lipid sources (mineral oil and oleic acid), two phosphorus sources (K2HPO4 and KH2PO4), MgSO4, and CaCl2. Multiple regression analysis and centroid effect analysis were carried out to find the sugar, lipid, nitrogen source, phosphorus source, and metals having the most positive influence. Sucrose, malt extract, oleic acid, K2HPO4, and CaCl2 were selected for the second stage of experiments. An augmented simplex centroid design for five ingredients requiring 16 experiments was used for the optimization stage. This produced a quadratic model developed to help understand the interaction amongst the ingredients and find the optimal media concentrations. In addition, the top three results from the optimization experiments were used to obtain constraints that identify an optimal region. The model together with the optimal region constraints predicts the maximum production of SLs when the fermentation media is composed of sucrose, 125 g/L; malt extract, 25 g/L; oleic acid, 166.67 g/L; K2HPO4, 1.5 g/L; and CaCl2, 2.5 g/L. The optimal media was validated experimentally and a yield of 177 g/L was obtained. © 2010 American Institute of Chemical Engineers Biotechnol. Prog., 2010
Sulfate reduction at pH 4.0 for treatment of process and wastewaters
Authors: Bijmans Martijn F. M. , de Vries Erik , Yang Chun‐Hui , N. Buisman Cees J. , Lens Piet N. L. , Dopson Mark
Published: February 2010

Acidic industrial process and wastewaters often contain high sulfate and metal concentrations and their direct biological treatment is thus far not possible as biological processes at pH < 5 have been neglected. Sulfate‐reducing bacteria convert sulfate to sulfide that can subsequently be used to recover metals as metal‐sulfides precipitate. This study reports on high‐rate sulfate reduction with a mixed microbial community at pH 4.0 and 4.5 with hydrogen and/or formate as electron donors. The maximum sulfate reducing activity at pH 4.0 was sustained for over 40 days with a specific activity 500‐fold greater than previously reported values: 151 mmol sulfate reduced/L reactor liquid per day with a maximum specific activity of 84 mmol sulfate per gram of volatile suspended solids per day. The biomass yield gradually decreased from 38 to 0.4 g volatile suspended solids per kilogram of sulfate when decreasing the reactor pH from pH 6 to 4. The microorganisms had a high maintenance requirement probably due maintaining pH homeostasis and the toxicity of sulfide at low pH. The microbial community diversity in the pH 4.0 membrane bioreactor decreased over time, while the diversity of the sulfate reducing community increased. Thus, a specialized microbial community containing a lower proportion of microorganisms capable of activity at pH 4 developed in the reactor compared with those present at the start of the experiment. The 16S rRNA genes identified from the pH 4.0 grown mixed culture were most similar to those of Desulfovibrio species and Desulfosporosinus sp. M1. © 2010 American Institute of Chemical Engineers Biotechnol. Prog., 2010
Oxidative Desulfurization of Aromatic Sulfur Compounds over Titanosilicates
Authors: Gao Guohua , Cheng Shifu , An Ying , Si Xiaojuan , Fu Xianlei , Liu Yueming , Zhang Haijiao , Wu Peng , He Ming‐Yuan
Published: February 2010

The application of several titanosilicates to the oxidation of aromatic sulfur compounds such as thiophene, benzothiophene, dibenzothiophene, and 4,6‐dimethyldibenzothiophene with H2O2 under mild conditions is reported. Superior to other titanosilicates, Ti‐MWW demonstrates a higher activity for the oxidation of 4,6‐dimethyldibenzothiophene owing to the unique pore structure of the MWW topology. The effects of solvent, temperature, catalyst amount, and H2O2/S ratio on the oxidation of 4,6‐dimethyldibenzothiophene over this catalyst are studied in detail. The catalyst is also applied to the oxidative desulfurization of commercial diesel. The sulfur compounds in the commercial diesel were oxidized to the corresponding sulfones, which could be readily extracted by acetonitrile, resulting in a maximum sulfur removal of 88 % .
Geographical origin identification of pure Sri Lanka tea infusions with electronic nose, electronic tongue and sensory profile analysis
Authors: Kovács Zoltán , Dalmadi István , Lukács Larina , Sipos László , Szántai‐Kőhegyi Katalin , Kókai Zoltán , Fekete András
Published: February 2010

Tea quality used to be traditionally evaluated by sensory panels. Their expertise is considerably better than that of the average consumers. However, there can be definite subjectivity in the judgment of sensory panels. A new direction is advanced sensory study that integrates sensory assessment with instrumental evaluation. The aim of this paper is to distinguish five Sri Lanka black teas from plantations of different geographical origins. From the tea samples, infusions were prepared with standard procedure. Three different test methods were applied: electronic nose, electronic tongue and sensory assessment. In the case of the electronic nose only the volatile components were evaluated. The Alpha Astree II potentiometric electronic tongue analyzed the liquid phase, while in the sensory profiling all perceptible attributes were tested. Data were analyzed with principle component analysis (PCA), linear discriminant analysis (LDA) and in the case of sensory analysis with one‐way ANOVA. The partial least square regression (PLS) was used to estimate the sensory attributes. As a final result, we found that LDA maps show the quality differences of teas grown at different altitudes and geographical location of growing regions. Copyright © 2010 John Wiley & Sons, Ltd.
One‐Dimensional Ferromagnetically Coupled Bimetallic Chains Constructed with trans‐[Ru(acac)2(CN)2]−: Syntheses, Structures, Magnetic Properties, and Density Functional Theoretical Study
Authors: Guo Jun‐Fang , Wang Xiu‐Teng , Wang Bing‐Wu , Xu Guan‐Cheng , Gao Song , Szeto Lap , Wong Wing‐Tak , Wong Wai‐Yeung , Lau Tai‐Chu
Published: February 2010

Four cyano‐bridged 1D bimetallic polymers have been prepared by using the paramagnetic building block trans‐[Ru(acac)2(CN)2]− (Hacac=acetylacetone): {[{Ni(tren)}{Ru(acac)2(CN)2}][ClO4]⋅CH3OH}n (1) (tren=tris(2‐aminoethyl)amine), {[{Ni(cyclen)}{Ru(acac)2(CN)2}][ClO4]⋅ CH3OH}n (2) (cyclen=1,4,7,10‐tetraazacyclododecane), {[{Fe(salen)}{Ru(acac)2(CN)2}]}n (3) (salen2−=N,N′‐bis(salicylidene)‐o‐ethyldiamine dianion) and [{Mn(5,5′‐Me2salen)}2{Ru(acac)2(CN)2}][Ru(acac)2(CN)2]⋅ 2 CH3OH (4) (5,5′‐Me2salen=N,N′‐bis(5,5′‐dimethylsalicylidene)‐o‐ethylenediimine). Compounds 1 and 2 are 1D, zigzagged NiRu chains that exhibit ferromagnetic coupling between NiII and RuIII ions through cyano bridges with J=+1.92 cm−1, z J′=−1.37 cm−1, g=2.20 for 1 and J=+0.85 cm−1, z J′=−0.16 cm−1, g=2.24 for 2. Compound 3 has a 1D linear chain structure that exhibits intrachain ferromagnetic coupling (J=+0.62 cm−1, z J′=−0.09 cm−1, g=2.08), but antiferromagnetic coupling occurs between FeRu chains, leading to metamagnetic behavior with TN=2.6 K. In compound 4, two MnIII ions are coordinated to trans‐[Ru(acac)2(CN)2]− to form trinuclear Mn2Ru units, which are linked together by π–π stacking and weak Mn⋅⋅⋅O* interactions to form a 1D chain. Compound 4 shows slow magnetic relaxation below 3.0 K with ϕ=0.25, characteristic of superparamagnetic behavior. The MnIII⋅⋅⋅RuIII coupling constant (through cyano bridges) and the MnIII⋅⋅⋅MnIII coupling constant (between the trimers) are +0.87 and +0.24 cm−1, respectively. Compound 4 is a novel single‐chain magnet built from Mn2Ru trimers through noncovalent interactions. Density functional theory (DFT) combined with the broken symmetry state method was used to calculate the molecular magnetic orbitals and the magnetic exchange interactions between RuIII and M (M=NiII, FeIII, and MnIII) ions. To explain the somewhat unexpected ferromagnetic coupling between low‐spin RuIII and high‐spin FeIII and MnIII ions in compounds 3 and 4, respectively, it is proposed that apart from the relative symmetries, the relative energies of the magnetic orbitals may also be important in determining the overall magnetic coupling in these bimetallic assemblies.
Chemoenzymatic Synthesis of a Glycolipid Library and Elucidation of the Antigenic Epitope for Construction of a Vaccine Against Lyme Disease
Authors: Stübs Gunthard , Rupp Bernd , Schumann Ralf R. , Schröder Nicolas W. J. , Rademann Jörg
Published: February 2010

Lyme disease (LD) is the most common tick‐borne disease in Europe, North America, and Asia. The etiologic agents of LD are spirochetes of the group Borrelia burgdorferi sensu lato, which possess a lipid content of 25–30 % of the dry weight. The major glycolipid cholesteryl 6‐O‐acyl‐β‐D‐galactopyranoside (ACGal), present in B. burgdorferi sensu stricto, B. afzelii, and B. garinii, is a specific and highly prevalent antigen frequently recognized by antibodies in late‐stage LD. Here we report a convenient route for the chemical synthesis of ACGal by employing a combination of chemical synthesis steps with enzymatic transformations. This synthesized molecule was compared with bacterial extracts by immunoblots with patient sera, confirming the preserved antigenicity. Next, a glycolipid library derived from the native molecules with variations in the fatty acyl moiety and derivatives in which the cholesterol has been replaced was designed and synthesized. The chemical structures were confirmed by 1D and 2D NMR spectroscopy and mass spectrometry. The native and synthetic glycolipids were utilized in immunoblots to determine the epitope recognized by antibodies in patient sera. By this method we could demonstrate that galactose, cholesterol, and a fatty acid with a minimal chain length of four carbon atoms comprises the essential structure for recognition by antibodies. Finally, this finding allowed the synthesis of a functionalized ACGal with an ω‐mercapto group at the fatty acid and a facile protection and deprotection strategy. This antigenic hapten can be conjugated to a carrier protein to effect immunization against Lyme disease.
Aggregation‐Controlled Excimer Emission from Anthracene‐Containing Polyamidoamine Dendrimers
Authors: Lekha P. K. , Prasad Edamana
Published: February 2010

Lower generations of polyamidoamine (PAMAM) dendrimers were peripherally modified with anthracene moieties, and excimer emission from anthracene chromophores was investigated in an acetonitrile–water mixture at acidic and basic pH values. Results from fluorescence spectroscopic experiments suggest that 1) the propensity of anthracene‐modified PAMAM dendrimers to aggregate in acetonitrile is substantial in the presence of 15–20 vol % of water, and 2) aggregate formation in anthracene‐modified PAMAM dendrimers leads to unique morphologies in the ground state, where the anthracene units are pre‐arranged to form stable excimers upon photoexcitation. Three types of anthracene excimers are generated in the system, with face‐to‐face, angular, and T‐shaped geometry. The formation of different types of anthracene excimers was confirmed by steady‐state and time‐resolved fluorescence spectroscopic experiments. Experimental results further suggest that it is feasible to alter the type of excimer formed by anthracene units attached to the PAMAM dendrimers through altering the propensity for ground‐state aggregation. Most excitingly, increased π conjugation in the molecular framework of anthracene‐substituted PAMAM dendrimers leads to intense and exclusive excimer emission from anthracene at room temperature.
A HTS Assay for the Detection of Organophosphorus Nerve Agent Scavengers
Authors: Louise‐Leriche Ludivine , Pǎunescu Emilia , Saint‐André Géraldine , Baati Rachid , Romieu Anthony , Wagner Alain , Renard Pierre‐Yves
Published: February 2010

A new pro‐fluorescent probe aimed at a HTS assay of scavengers is able to selectively and efficiently cleave the PS bond of organophosphorus nerve agents and by this provides non‐toxic phosphonic acid has been designed and synthesised. The previously described pro‐fluorescent probes were based on a conventional activated POaryl bond cleavage, whereas our approach uses a self‐immolative linker strategy that allows the detection of phosphonothioase activity with respect to a non‐activated PSalkyl bond. Further, we have also developed and optimised a high‐throughput screening assay for the selection of decontaminants (chemical or biochemical scavengers) that could efficiently hydrolyse highly toxic V‐type nerve agents. A preliminary screening, realised on a small α‐nucleophile library, allowed us to identify some preliminary “hits”, among which pyridinealdoximes, α‐oxo oximes, hydroxamic acids and, less active but more original, amidoximes were the most promising. Their selective phosphonothioase activity has been further confirmed by using PhX as the substrate, and thus they offer new perspectives for the synthesis of more potent V nerve agent scavengers.
Self‐Assembly of Calix[6]arene–Diazapyrenium Pseudorotaxanes: Interplay of Molecular Recognition and Ion‐Pairing Effects
Authors: Semeraro Monica , Arduini Arturo , Baroncini Massimo , Battelli Raffaella , Credi Alberto , Venturi Margherita , Pochini Andrea , Secchi Andrea , Silvi Serena
Published: February 2010

The calix[6]arene wheel CX forms pseudorotaxane species with the diazapyrenium‐based axle 1⋅2PF6 in CH2Cl2 solution. The macrocyclic component is a heteroditopic receptor, which can complex the electron‐acceptor moiety of the axle inside its cavity and the counterions with the ureidic groups on the upper rim. The self‐assembled supramolecular species is a complex structure, which involves three components—the wheel, the axle and its counterions—that can mutually interact and affect. The stoichiometry of the resulting supramolecular complex depends on the nature and concentration of the counterions. Namely, it is observed that in dilute solution and with low‐coordinating anions the axle takes two wheels, whereas with highly coordinating anions or in concentrated solutions the complex has a 1:1 stoichiometry.
Direct asymmetric Michael addition of thioether‐based aryl sulfanyl‐propan‐2‐one to nitroalkenes catalyzed by a chiral amine‐thiourea bifunctional organocatalyst
Authors: Jiang Xianxing , Zhang Bangzhi , Zhang Yifu , Lin Li , Yan Wenjin , Wang Rui
Published: February 2010

Although the organocatalytic direct asymmetric Michael reactions of carbonyl compounds to nitroalkenes have been investigated intensely, the Michael reaction of the thioether‐based donors remains a rather undeveloped field. This work concerns the asymmetric Michael addition of aryl sulfanyl‐propan‐2‐one to nitroalkenes with benzoic acid as an additive, and chiral amine‐thiourea as a bifunctional organocatalyst. The reactions provided the highly functionalized chiral adducts with excellent enantioselectivities (up to 96% ee) and good yields. Moreover, the further transformed products exhibited excellent diastereoselectivity. Chirality, 2010. © 2010 Wiley‐Liss, Inc.
A practical and efficient method for the resolution of 3‐phospholene 1‐oxides via coordination complex formation1
Authors: Ujj Viktória , Bagi Péter , Schindler József , Madarász János , Fogassy Elemér , Keglevich György
Published: February 2010

A simple, efficient, and economical method based on the combination of the exceptional behavior of o,o′‐dibenzoyl‐ or o,o′‐di‐p‐toluyl‐(2R,3R)‐tartaric acid in chiral recognition processes, and the coordination ability of calcium or magnesium ion was developed for the resolution of phospholene oxides 1. The calcium or magnesium salt of (−)‐o,o′‐dibenzoyl‐(2R,3R)‐tartaric acid 2,4‐6 or calcium hydrogen (−)‐o,o′‐di‐p‐toluyl‐(2R,3R)‐tartrate 3 may form crystalline diastereomeric coordination complexes with the appropriate antipode of substituted 3‐phospholene oxides 1 that makes possible efficient resolutions. Optically active phospholene oxides 1 were prepared directly by simply crystallization and digestion of the corresponding diastereomeric complexes so formed. Thermal behavior of the crystalline diastereomeric complexes was studied by simultaneous TG/DTA. The novel method may be of more general value in respect of the resolution of tertiary phosphine oxides. Chirality, 2010. © 2010 Wiley‐Liss, Inc.
Chiral discrimination in diastereomeric salts of chlorine‐substituted mandelic acid and phenylethylamine
Authors: He Quan , Gomaa Hassan , Rohani Sohrab , Zhu Jesse , Jennings Michael
Published: February 2010

The crystal structures of diastereomeric salts of chloromandelic acid and phenylethylamine were determined and are presented herein. The structure comparison between less soluble salts and more soluble salts shows that weak interactions such as CH/π interactions and van der Waals gain importance and contribute to chiral recognition when the hydrogen bonding patterns are very similar. Chirality, 2010. © 2010 Wiley‐Liss, Inc.
Enantioselective synthesis and antioxidant activity of 3‐(3,4‐dihydroxyphenyl)‐glyceric acid—Basic monomeric moiety of a biologically active polyether from Symphytum asperum and S. caucasicum
Authors: Merlani Maia , Barbakadze Vakhtang , Amiranashvili Lela , Gogilashvili Lali , Yannakopoulou Elina , Papadopoulos Kyriakos , Chankvetadze Bezhan
Published: February 2010

The racemic and enantioselective synthesis of a novel glyceric acid derivative, namely, 2,3‐dihydroxy‐3‐(3,4‐dihydroxyphenyl)‐propionic acid as well as the antioxidant activities is described. The virtually pure enantiomers, (+)‐(2R,3S)‐2,3‐dihydroxy‐3‐(3,4‐dihydroxyphenyl)‐propionic acid and (−)‐(2S,3R)‐2,3‐dihydroxy‐3‐(3,4‐dihydroxyphenyl)‐propionic acid were synthesized for the first time via Sharpless asymmetric dihydroxylation of trans‐caffeic acid derivatives using the enantiocomplementary catalysts, (DHQD)2‐PHAL and (DHQ)2‐PHAL. The determination of enantiomeric purity of the novel chiral glyceric acid derivatives was performed by high‐performance liquid chromatographic techniques on the stage of their alkylated precursors. The novel glyceric acid derivatives show strong antioxidant activity against hypochlorite and N,N‐diphenyl‐N‐picryl‐hydrazyl free radical. Their antioxidant activity is about 40‐fold higher than that of the corresponding natural polyether and three‐fold higher of trans‐caffeic acid itself. Chirality, 2010. © 2010 Wiley‐Liss, Inc.
Determination of the absolute configurations of synthetic daunorubicin analogues using vibrational circular dichroism spectroscopy and density functional theory
Authors: Yang Guochun , Tran Ha , Fan Eric , Shi Wei , Lowary Todd L. , Xu Yunjie
Published: February 2010

The absolute configurations of three synthesized anthracycline analogues have been determined using vibrational circular dichroism (VCD) spectroscopy and the density functional theory (DFT) calculations. The experimental VCD spectra of the three compounds have been measured for the first time in the film state, prepared from their CDCl3 solutions. Conformational searches for the monomers and some dimers of the three compounds have been performed at the DFT level using the B3LYP functional and the 6‐311G** and 6‐311++G** basis sets. The corresponding vibrational absorption and VCD spectra have been calculated. The good agreement between the experimental and the calculated spectra allows one to assign the absolute configurations of the three compounds with high confidence. In addition, the dominant conformers of the three compounds have also been identified. Chirality, 2010. © 2010 Wiley‐Liss, Inc.
Chemielehrerfortbildung im europäischen Rahmen. CITIES
Authors: Gros Leo , Bader Hans Joachim
Published: February 2010

Partner aus mehreren europäischen Ländern haben gemeinsam im COMENIUS‐Projekt CITIES erstmalig in mehreren Sprachen (Deutsch, Englisch, Polnisch, Tschechisch und Spanisch, mit Einführungen in Estnisch, Porugiesisch und Türkisch) vorliegendes Fortbildungsmaterial für Chemielehrer entwickelt. Es berücksichtigt Spezifika einzelner Länder, nimmt aber eine gesamteuropäische Perspektive ein. Informationen zur Chemie in Europa aus der Sicht von Politik und Wirtschaft zeigen den Rahmen, in dem die “chemical community” arbeitet. Eine strukturierte Reihe von Lehr‐ und Lernmaterialien soll helfen, Interesse und Begeisterung von Schülern zu wecken und die Chemie hinter Produkten und Phänomenen des Alltags zu entdecken.
Wasserspaltung durch Komplexchemie
Authors: Jaenicke Lothar
Published: February 2010

Der Energiehunger der Menschheit wird nicht abnehmen, wohl aber der irdische Vorrat, aus dem Energie gewonnen werden kann. Dagegen wird man sich auf die Sonne und die Lichtenergiewandlungen, die die Natur uns vormacht, noch lange verlassen können. Die meisten Nutzungsvorschläge, von der sich entwickelnden Solarzellentechnologie (Photovoltaik) abgesehen, haben allerdings letzten Endes einen geringen Wirkungsgrad, ob man nun Biodiesel oder Bioalkohol produziert – es konkurriert mit der Nahrung für die wachsende Bevölkerung, und allesfressende, brennstoffproduzierende Mikroorganismen müssen erst gezüchtet werden. Es bleibt das Wunschziel, die Photosynthese für die Energieproduktion ingenieurstechnisch zu verwenden.
The effect of changes in Medicare reimbursement on the practice of office and hospital‐based endoscopic surgery for bladder cancer
Authors: Hemani Micah L. , Makarov Danil V. , Huang William C. , Taneja Samir S.
Published: February 2010

BACKGROUND:

Procedures performed in the office offer potential cost savings. Recent analyses suggest, however, that a fee‐for‐service system may incentivize subscale operations and, thus, contribute to excessive spending. The authors of this report sought to characterize changes in the practice of office‐based and hospital‐based endoscopic bladder surgery after 2005 increases in Medicare reimbursement.

METHODS:

All office and hospital‐based endoscopic surgeries that were performed in a faculty practice from 2002 through 2007 were identified using billing codes for procedures, diagnoses, and procedure locations and then analyzed using the chi‐square test and logistic regression. Costs were estimated based on published Medicare reimbursements for office and hospital‐based surgeries.

RESULTS:

In total, 1341 endoscopic bladder surgeries were performed, including 764 in the office and 577 in the hospital. After 2005, the odds ratio (OR) for office surgery occurring among all cystoscopies and for surgery occurring in the office versus the hospital was 2.01 (95% confidence interval [CI], 1.71‐2.37) and 2.29 (95% CI, 1.83‐2.87), respectively. Among all treated lesions that were associated with a diagnosis of bladder cancer and nonbladder cancer, the OR for a procedure occurring in the office versus the hospital was 1.36 (95% CI, 1.07‐1.73) and 1.99 (95% CI, 1.52‐2.60), respectively. The likelihood of repeat surgery on the same lesion increased after 2005 (OR, 2.86; 95% CI, 1.46‐5.62), and the likelihood of an office surgery leading to a bladder cancer diagnosis at the next visit declined (OR, 0.29; 95% CI, 0.16‐0.51). The overall estimated expenditure increased by 50%.

CONCLUSIONS:

After 2005, more bladder lesions were identified and treated in the office. In a single group practice, office treatment of bladder cancer did not fully explain this new practice pattern, suggesting a lowered threshold for office intervention. Cancer 2010. © 2010 American Cancer Society.
Evaluating the ability to detect change of health‐related quality of life in children with Hodgkin disease
Authors: Klaassen Robert J , Krahn Murray , Gaboury Isabelle , Hughes Joanna , Anderson Ronald , Grundy Paul , Ali S. Kaiser , Jardine Lawrence , Abla Oussama , Silva Mariana , Barnard Dorothy , Cappelli Mario
Published: February 2010

BACKGROUND:

We evaluated 4 different health‐related quality of life (HRQL) measures prospectively to determine their ability to detect change over time: the Health Utilities Index Mark 2 and Mark 3, the Pediatric Quality of Life Inventory (PedsQL) 4.0 Generic Core and Cancer Module, the EuroQol EQ‐5D visual analogue scale (EuroQol), and the Lansky Play‐Performance Scale.

METHODS:

Children with all stages of Hodgkin disease from 12 centers across Canada were asked to complete the 4 measures at 4 time points: 2 weeks after the first course of chemotherapy, on the third day of the second course of chemotherapy, during the third week of radiation, and 1 year after diagnosis.

RESULTS:

Fifty‐one patients were enrolled in the study between May 1, 2002 and March 31, 2005. Two patients were excluded: 1 patient died shortly after the first time point and the other patient failed to complete any of the questionnaires. All measures showed a significant change between Time 1 and Time 4 (<0.05). When the change in child scores was analyzed between the time points using the child's self‐reported change in HRQL, the PedsQL and the EuroQol showed significant change at all time points.

CONCLUSIONS:

All of the measures were able to detect change in a diverse group of children with Hodgkin disease. The PedsQL and the EuroQol appeared to be the most sensitive to change. Cancer 2010. © 2010 American Cancer Society.
The use of anticoagulants improves biochemical control of localized prostate cancer treated with radiotherapy
Authors: Choe Kevin S. , Correa David , Jani Ashesh B. , Liauw Stanley L.
Published: February 2010

BACKGROUND:

Substantial experimental evidence suggests that anticoagulants (ACs) may inhibit cancer growth and metastasis, although the limited data from clinical trials have been inconsistent. The potential antineoplastic effect of ACs was investigated in patients who received radiotherapy for localized prostate cancer.

METHODS:

The study cohort consisted of 662 patients with adenocarcinoma of the prostate who received radiotherapy (RT) with curative intent. Among those 622 men, 243 (37%) were receiving ACs (warfarin, clopidogrel, and/or aspirin). All patients received external‐beam RT, permanent seed implantation, or a combination of both. Prostate‐specific antigen (PSA) values were monitored for biochemical control of disease.

RESULTS:

At a median follow‐up of 49 months, the biochemical control rate at 4‐years was significantly better in patients who received ACs at 91% compared with 78% in patients who did not receive ACs (P = .0002). The distant metastasis rate at 4 years also was reduced in the AC group compared with the non‐AC group (1% vs 5%; P = .0248). In subgroup analysis, the improvement in biochemical control was significant only for patients with high‐risk disease. Along with Gleason score, T classification, and initial PSA, the use of AC therapy was associated independently with improved biochemical control in multivariate analysis.

CONCLUSIONS:

AC therapy was associated with an improvement in biochemical control in patients with prostate cancer who received RT with curative intent. The effect was most prominent in patients who had high‐risk disease. Cancer 2010. © 2010 American Cancer Society.
The impact of breast reconstruction on the delivery of chemotherapy
Authors: Alderman Amy K. , Collins E. Dale , Schott Anne , Hughes Melissa E. , Ottesen Rebecca A. , Theriault Richard L. , Wong Yu‐Ning , Weeks Jane C. , Niland Joyce C. , Edge Stephen B.
Published: February 2010

BACKGROUND:

The purpose of this study was to evaluate the impact of postmastectomy breast reconstruction on the timing of chemotherapy.

METHODS:

The authors included stage I‐III breast cancer patients from 8 National Comprehensive Cancer Network institutions for whom guidelines recommended chemotherapy. Surgery type was categorized as breast‐conserving surgery (BCS), mastectomy alone, mastectomy with immediate reconstruction (M + IR), or mastectomy with delayed reconstruction (M + DR). A Cox regression analysis was used to assess the association between surgery type and timing of chemotherapy initiation.

RESULTS:

Of the 3643 patients, only 5.1% received it ≥8 weeks from surgery. In the multivariate analysis, higher stage, Caucasian and Hispanic race/ethnicity, lower body mass index, and absence of comorbid conditions were all significantly associated with earlier time to chemotherapy. There was also significant interaction among age, surgery, and chemotherapy delivery. Among women <60, time to chemotherapy was shorter for all surgery types compared with M + IR (statistical significant for all surgery types in the youngest age group and for BCS in women 40 to <50 years old). In contrast, among women ≥60, time to chemotherapy was shorter among women receiving M + IR or M + DR compared with those undergoing BCS or mastectomy alone, a difference that was statistically significant for the M + IR versus BCS comparison.

CONCLUSIONS:

Immediate postmastectomy breast reconstruction does not appear to lead to omission of chemotherapy, but it is associated with a modest, but statistically significant, delay in initiating treatment. For most, it is unlikely that this delay has any clinical significance. Cancer 2010. © 2010 American Cancer Society.
Progress for resectable cancer?
Authors: Simons Jessica P. , Ng Sing Chau , McDade Theodore P. , Zhou Zheng , Earle Craig C. , Tseng Jennifer F.
Published: February 2010

BACKGROUND:

Pancreatic adenocarcinoma is a deadly disease; however, recent studies have suggested improved outcomes in patients with locoregional cancer. Progress was evaluated at a national level in resected patients, as measured by the proportion who received guideline‐directed treatment and trends in survival.

METHODS:

The linked Surveillance, Epidemiology, and End Results and Medicare databases were queried to identify resections for pancreatic adenocarcinoma performed between 1991 and 2002. Receipt and timing of chemotherapy and radiation with respect to time‐trend were assessed. Using logistic regression, factors associated with adjuvant combination chemoradiotherapy were identified. Kaplan‐Meier curves stratified by year and treatment were used to assess survival.

RESULTS:

Of the 1910 patients, 47.9% (n = 915) received some form of adjuvant therapy within the first 6 months postoperatively; 34.4% (n = 658) received combination chemoradiotherapy (chemoRT). ChemoRT demonstrated a significant increase, from 29.2% to 37.5% (P < .0001). Neoadjuvant therapy was used in 5.7% (n = 108) of patients; no trend was observed during the study (P = .1275). The in‐hospital mortality rate was 8.0% (n = 153 patients); no significant trend was noted (P = .3116). Kaplan‐Meier survival, stratified by year group of diagnosis, did not change significantly over time (log‐rank test, P = .4381), even with comparisons of the first 3 years with the last 3 years of the study (log‐rank test, P = .3579).

CONCLUSIONS:

Adherence to guideline‐directed care isimproving in the United States; however, the pace is slow, and overall survival has yet to be impacted significantly. Both increased use of adjuvant therapy and the development of more promising systemic treatments are necessary to improve survival for patients with resectable pancreatic cancer. Cancer 2010. © 2010 American Cancer Society.
Racial and insurance disparities in the receipt of transplant among patients with hepatocellular carcinoma
Authors: Yu Jeanette C. , Neugut Alfred I. , Wang Shuang , Jacobson Judith S. , Ferrante Lauren , Khungar Vandana , Lim Emerson , Hershman Dawn L. , Brown Robert S. , Siegel Abby B.
Published: February 2010

BACKGROUND:

Patients with hepatocellular carcinoma (HCC) have a poor prognosis if their tumors are not diagnosed early. The authors investigated factors associated with the receipt of liver transplant among patients with HCC and evaluated the effects of these differences on survival.

METHODS:

The authors reviewed records from consecutive patients diagnosed with HCC at Columbia University Medical Center from January 1, 2002 to September 1, 2008. We compared patient clinical and demographic characteristics, developed a multivariable logistic regression model of predictors of transplant, and used a Cox model to analyze predictors of mortality.

RESULTS:

Of 462 HCC patients, 175 (38%) received a transplant. Black patients were much less likely than whites to receive a transplant (odds ratio [OR], 0.03; 95% confidence interval [CI], 0.0‐0.37). Hispanics and Asians were also less likely to undergo transplantation, but the differences were not statistically significant. Patients with private insurance were more likely to receive a transplant than those with Medicaid (odds ratio [OR], 22.07; 95% confidence interval [CI], 2.67‐182.34). Black and Hispanic patients, and Medicaid recipients, presented with more advanced disease than whites and privately insured patients, and had poorer survival. In a Cox model, those who did not receive a transplant were 3 times as likely as transplant recipients to die, but race and insurance were not independently predictive of mortality.

CONCLUSIONS:

Race and insurance status were strongly associated with receipt of transplantation and with more advanced disease at diagnosis, but transplantation was the most important determinant of survival. Improved access to care for nonwhite and Medicaid patients may allow more patients to benefit from transplant. Cancer 2010. © 2010 American Cancer Society.
Killing tumor cells through their surface β2‐microglobulin or major histocompatibility complex class I molecules
Authors: Yang Jing , Yi Qing
Published: February 2010

Targeted antibody‐based therapy has been used successfully to treat cancers. Recent studies have demonstrated that tumor cells treated with antibodies specific for β2‐microglobulin (β2M) or major histocompatibility complex (MHC) class I molecules undergo apoptosis in vitro and in vivo (mouse models). Antibodies against β2M or MHC class I induce tumor cell apoptosis by 1) recruiting MHC class I molecules to lipid rafts and activating LYN kinase and the signal‐transducing enzyme phospholipase C‐γ2‐dependent c‐Jun N‐terminal kinase signaling pathway and 2) expelling interleukin 6 and insulin‐like growth factor 1 receptors out of lipid rafts and inhibiting the growth and survival factor‐induced activation of the phosphatidylinositol 3‐kinase/Akt and extracellular signal‐related kinase pathways. Consequently, mitochondrial integrity is compromised, and the caspase‐9‐dependent cascade is activated in treated tumor cells. However, although β2M and MHC class I are expressed on normal hematopoietic cells, which is a potential safety concern, the monoclonal antibodies were selective to tumor cells and did not damage normal cells in vitro or in human‐like mouse models. These findings suggest that targeting β2M or MHC class I by using antibodies or other agents offers a potential therapeutic approach for β2M/MHC class I‐expressing malignancies. Cancer 2010. © 2010 American Cancer Society.
Phase 2 trial of talampanel, a glutamate receptor inhibitor, for adults with recurrent malignant gliomas
Authors: Iwamoto Fabio M. , Kreisl Teri N. , Kim Lyndon , Duic J. Paul , Butman John A. , Albert Paul S. , Fine Howard A.
Published: February 2010

BACKGROUND:

Glioma cells secrete glutamate and also express α‐amino‐3‐hydroxy‐5 methyl‐4‐isoxazolepropionate (AMPA) glutamate receptors, which contribute to the proliferation, migration, and neurotoxicity of malignant gliomas. Talampanel is an oral AMPA receptor inhibitor with excellent central nervous system penetration and good tolerability in clinical trials for epilepsy and other neurologic disorders.

METHODS:

A phase 2 trial was conducted to evaluate the efficacy of talampanel in patients with recurrent malignant glioma as measured by 6‐month progression‐free survival (PFS6).

RESULTS:

Thirty patients (22 with glioblastomas [GBMs] and 8 with anaplastic gliomas [AGs]; 63% men) with median age of 51 years (range, 20‐67 years) and a median Karnofsky performance scale of 80 were included. Patients tolerated treatment well, and most adverse events were mild and reversible; the most common toxicities were fatigue (27%), dizziness (23%), and ataxia (17%). There was only 1 partial response (5%) reported in the GBM stratum and none among AG patients. At a median follow‐up of 13 months, 28 patients (93%) had died. The PFS6 was 4.6% for the initial 22 GBM patients, and the study was terminated early due to treatment futility; the PFS6 was 0% for 8 AG patients. The median PFS was 5.9 weeks for GBM and 8.9 weeks for AG patients. The median overall survival was 13 weeks for GBM patients and 14 months for AG patients.

CONCLUSIONS:

Talampanel was well‒tolerated but had no significant activity as a single agent in unselected recurrent malignant gliomas. Cancer 2010. Published 2010 by the American Cancer Society.
Session integration service over multiple devices
Authors: Chen Min‐Xiou , Wang Fu‐Ju
Published: February 2010

One of the most important research subjects in session initiation protocol (SIP) is mobility management. Session mobility is a key issue in SIP mobility management. Session mobility is an advanced feature that maintains an ongoing media session from one device to another. In this paper, we consider the issue of session mobility and propose a complete integrated solution, referred to as ‘session integration service’, to transfer an ongoing media session over multiple devices. To provide flexibility in session mobility, three new agent states are introduced based on the user agent definition. They consist of session manager, session user, and free node. This paper also proposes two split session integration methods for session integration service based on these three agents. The proposed method provides session mobility flexibility and allows the user the ability to transfer, split, and retrieve a session over multiple devices. Moreover, the split session can be integrated in any devices. To ensure session mobility over multiple devices, the session integration service will be implemented through a modification of the open source project ‘SIP‐communicator’. Copyright © 2010 John Wiley & Sons, Ltd.
Polyploidy‐associated genomic instability in Arabidopsis thaliana
Authors: Wang Yixing , Jha Ajay K. , Chen Rujin , Doonan John H. , Yang Ming
Published: February 2010

Formation of polyploid organisms by fertilization of unreduced gametes in meiotic mutants is believed to be a common phenomenon in species evolution. However, not well understood is how species in nature generally exist as haploid and diploid organisms in a long evolutionary time while polyploidization must have repeatedly occurred via meiotic mutations. Here, we show that the ploidy increased for two consecutive generations due to unreduced but viable gametes in the Arabidopsis cyclin a1;2‐2 (also named tardy asynchronous meiosis‐2) mutant, but the resultant octaploid plants produced progeny of either the same or reduced ploidy via genomic reductions during meiosis and pollen mitosis. Ploidy reductions through sexual reproduction were also observed in independently generated artificial octaploid and hexaploid Arabidopsis plants. These results demonstrate that octaploid is likely the maximal ploidy produced through sexual reproduction in Arabidopsis. The polyploidy‐associated genomic instability may be a general phenomenon that constrains ploidy levels in species evolution. genesis 48:254–263, 2010. © 2010 Wiley‐Liss, Inc.
Life beyond the eating disorder: Education, relationships, and reproduction
Authors: Maxwell Millie , Thornton Laura M. , Root Tammy L. , Pinheiro Andrea Poyastro , Strober Michael , Brandt Harry , Crawford Steve , Crow Scott , Fichter Manfred M. , Halmi Katherine A. , Johnson Craig , Kaplan Allan S. , Keel Pamela , Klump Kelly L. , LaVia Maria , Mitchell James E. , Plotnicov Kathy , Rotondo Alessandro , Woodside D. Blake , Berrettini Wade H. , Kaye Walter H. , Bulik Cynthia M.
Published: February 2010

Objective:

We investigated the sociodemographic characteristics in women with and without lifetime eating disorders.

Method:

Participants were from a multisite international study of eating disorders (N = 2,096). Education level, relationship status, and reproductive status were examined across eating disorder subtypes and compared with a healthy control group.

Results:

Overall, women with eating disorders were less educated than controls, and duration of illness and age of onset were associated with educational attainment. Menstrual status was associated with both relationship and reproductive status, but eating disorder subtypes did not differ significantly from each other or from healthy controls on these dimensions.

Discussion:

Differences in educational attainment, relationships, and reproduction do exist in individuals with eating disorders and are differentially associated with various eating disorder symptoms and characteristics. These data could assist in educating patients and family members about long‐term consequences of eating disorders. © 2010 by Wiley Periodicals, Inc. (Int J Eat Disord 2011; 44:225–232)