bluuebunny/crossref_metadata_2025 huggingface dataset:
Teilsicherheitsbeiwerte für bestehende Stahlbetonbauwerke
Authors: Moser Thomas , Strauss Alfred , Bergmeister Konrad
Published: December 2011

Allgemeine probabilistische Methoden für die Zuverlässigkeitsbewertung erlauben die Berücksichtigung von Unsicherheiten in der Planung, Bemessung, Ausführung und Erhaltung von neuen und historischen Stahlbetontragwerken. Die Umsetzung der in den Normen erlaubten probabilistischen Nachweisverfahren zur Zuverlässigkeitsbewertung bestehender Stahlbetonbauwerke kommt bis dato nur sehr beschränkt zur Anwendung und fordert entsprechende Modifikationen.

Eine höhere Akzeptanz der probabilistischen Nachweisverfahren kann, neben der Zurverfügungstellung von vereinfachten Verfahren für die Bestimmung der Zuverlässigkeit, durch die systematische Angabe von stochastischen Modellen für wesentliche Eigenschaften (z. B. Eigenschaften der Materialien, Widerstände, Lastenmodelle etc.) von neuen und historischen Strukturen erreicht werden. Insbesondere ist für die Praxis eine Methode zur Anpassung der Teilsicherheitsfaktoren des semi‐probabilistischen Nachweisverfahrens aufgrund von erhobenen oder vorgegebenen stochastischen Modellen von großem Interesse, um die etablierten normspezifischen Nachweisroutinen beibehalten zu können.

Die Zielsetzung dieses Beitrages ist die Vorstellung und Diskussion einer Methode zur Anpassung der Teilsicherheitsbeiwerte aufgrund erhobener stochastischer Modelle der Eigenschaften von historischen und neuen Strukturen und einer möglichen Reduktion im Zuverlässigkeitsniveau. Die Methode wird an einem repräsentativen dreifeldrigen Plattentragwerk der Österreichischen Bundesbahnen demonstriert.

Partial safety factors for reinforced concrete structures – verification of the shear capacity

General probabilistic methods for reliability evaluation allow the consideration of uncertainties in planning, design, execution and maintenance of new and historic reinforced concrete structures. The implementation of the probabilistic method used for the reliability evaluation of existing structures which is allowed according to the standards is in very limited use and requires some modifications.

A greater acceptance of the probabilistic methods could be reached through some simplified procedures for determining the reliability or the systematic specification of the stochastic models of the essential properties (e.g. properties of materials, of loadmodels, etc.).

Especially for the engineering practice a method for adapting the partial safety factors of the semi – probabilistic calculation method would be very useful.

The aim of this paper is to present and discuss a method to adjust the partial safety factors due to collected stochastic models of the properties of historic and new structures and a possible reduction of the reliability level. The method is demonstrated on a representative three – span plate structure of the Austrian Federal Railways.
Systematic review and meta-analysis of intraoperative versus preoperative endoscopic sphincterotomy in patients with gallbladder and suspected common bile duct stones (Br J Surg 2011; 98: 908–916)
Authors: Siddiqui M N , Siddiqui Z A
Published: December 2011

The Editors welcome topical correspondence from readers relating to articles published in the Journal. Responses should be sent electronically via the BJS website (www.bjs.co.uk). All letters will be reviewed and, if approved, appear on the website. A selection of these will be edited and published in the Journal. Letters must be no more than 250 words in length. Copyright © 2011 British Journal of Surgery Society Ltd. Published by John Wiley & Sons, Ltd.
Presidents page
Authors: Smith Linda C.
Published: December 2011

The publications of the American Society for Information Science and Technology (ASIS&T) continue a strong, 60‐year tradition of disseminating professional information started by the American Documentation Institute and its successor, the American Society for Information Science. ASIS&T's publications inform members and others seeking knowledge of the field, its practice and of policy related to information, associated technologies and information access. The core publication is the Journal of the American Society for Information Science and Technology (JASIS&T), the primary channel for scholarly communications for the field. It is supplemented by the Bulletin of the American Society for Information Science and Technology, the Proceedings of the ASIS&T Annual Meeting, ASIS&T monographs, and the ASIS&T Thesaurus of Information Science, Technology and Librarianship. Access to these resources is expanding through the ASIS&T Digital Library. Together, the society's publications serve as important and impartial communication vehicles for members and others. ASIS&T members are invited to share their expertise and opinions, contributing as authors to the Journal, Bulletin, Proceedings and monographs.
Libraries, librarians and mobile services
Authors: Thomas Lisa Carlucci
Published: December 2011

In recognition of the rise of mobile computing, a collection of articles is presented to explore its transformative influence on libraries, librarians and library services. Libraries are offering an expanding array of electronic resources, and patrons are eager to access them on their smartphones, tablet, and similar devices. Despite technological and budgetary challenges, librarians are finding success through creativity and collaboration. This special section explores several aspects of mobile computing in the library context. The articles describe innovative projects made possible by partnering with experts offering programming and other skills, technology implementations that expand users' awareness of and access to resources and practical solutions to common challenges of mobile sites for libraries.
Mobile website development: From site to app
Authors: Iglesias Edward , Meesangnil Wittawat
Published: December 2011

Staff and volunteers at Central Connecticut State University's Burritt Library responded to the surging demand for a Library website readable on many mobile devices. An intern and a core group of individuals with common understanding of the goals and needs undertook the development process, starting with the recognition that a library's mobile site should and could not replicate the full content of the existing website. They focused on basic library information, library catalog search, and an instant messaging link to the reference desk. Developers adopted packaged mobile frameworks to first create a simple static mobile site and subsequently took the further step to develop a dynamic library app, distributable through an app market. The app design supported expanded features and functionality, including an interactive library map and QR code scanner. The Burritt Library experience illustrates important lessons about the process and that, with determination and a modicum of skills, developing a mobile website and app is achievable and timely.
Designing low‐cost mobile websites for libraries
Authors: Travis Tiffini , Tay Aaron
Published: December 2011

As smartphone ownership rises, usage patterns are expanding. Libraries face an increasing demand for online content delivered in a mobile compatible format while being constrained by financial and staffing limitations. Solutions are readily available through free and low‐cost products to create mobile web pages and existing design models from which to draw inspiration. Platform‐specific apps can easily support the kinds of content most commonly delivered on library mobile pages: basic contact information and outbound links to the catalog, databases, and other resources. Two software platforms for creating simple pages were tested, the free software from WordPress with mobile detection formatting enabled and LibGuides' mobile friendly platform in a basic version, free for those with LibGuides accounts, and the more feature‐rich MobileBuilder version. Each was found to have advantages and weaknesses. Whichever platform is chosen, usability testing is critical. The authors offer a “Heuristic Checklist for Library Mobile Design,” detailing aspects of interface design, user characteristics, and content delivery that should be assessed to determine how well the platform serves a library's requirements for mobile usability.
Mobile usability
Authors: Wisniewski Jeff
Published: December 2011

The rapid growth in use of mobile devices demands that libraries accommodate information presentation on smartphones and other small screens. Usability should be the focus for every stage of design, ideally following the conventions and best practices promulgated by the World Wide Web Consortium and codified by major manufacturers such as Apple, Android and Blackberry. A mobile device is not simply a reduced‐size desktop; its minimal real estate requires different design choices and compromises that affect reading, navigation and entering text. Testing and evaluating the mobile interface design and function require attention to the hardware, operating system and browser. Ideally testing should be performed on multiple hardware configurations and by a wide variety of users. Emulators, simulators and lab testing can be useful but should not replace usability evaluation by real people in real life situations.
Detailed anatomy of the capsulopalpebral fascia
Authors: Nam Yong Seok , Han Seung‐Ho , Shin Sun Young
Published: December 2011

This study was designed to elucidate the detailed anatomy of the capsulopalpebral fascia (CPF) and capsulopalpebral head (CPH), and their relationships to the inferior rectus muscle (IRM). In this cohort study, 40 eyes from 20 cadavers were observed macroscopically. Dissection was carried out from the CPF origin to its insertion, and the CPF origin pattern was photographed in each specimen. The width, length, and tensile strength of the CPF were measured. The CPF originated 25.07 ± 1.07 mm laterally and 24.86 ± 1.10 mm medially from the origin of the IRM and extended to the lower border of the inferior oblique muscle, and it firmly adhered to the IRM surface and formed into the CPH. The CPH was 4.31 ± 0.86 mm laterally and 6.18 ± 1.94 mm medially in length and 7.47 ± 0.81 mm in width. The CPF originated from the total width or 3/4 temporal part of the IRM in 32 (80%) of 40 faces. There was asymmetry in the pattern of the CPF origin between the left and right eyes in 4 of 20 paired specimens (20%). The tensile strength of the posterior layer was 19.12 ± 11.22 N, which was significantly higher than that of the anterior layer (8.59 ± 3.88 N) (P = 0.001). This study provided a good understanding of the CPF structures conducive to performing IRM surgery. Clin. Anat. 25:709–713, 2012. © 2011 Wiley Periodicals, Inc.
Robotic thyroid surgery: Clinical and anatomic considerations
Authors: Janus Jeffrey R. , Moore Eric J. , Price Daniel L. , Kasperbauer Jan
Published: December 2011

Robotic thyroid surgery is a relatively new technique that provides the patient with the aesthetic advantage of a surgery without a scar in the anterior cervical region. The use of this technique, however, forces the surgeon to view the anatomy from a different vantage point, concomitantly providing the surgeon with a challenge with respect to dissection and sound oncologic ablation. It is important to note that robotic surgery used in this fashion is not limited access but rather requires a greater surface area of dissection to reach the surgical target. This article will discuss the relevant anatomy, operative goals, robotic technique, and clinical considerations of robotic thyroid surgery. Clin. Anat. 25:40–53, 2012. © 2011 Wiley‐Liss, Inc.
Inhibition of Heat Shock Transcription Factor Binding by a Linear Polyamide Binding in an Unusual 1:1 Mode
Authors: Wang Rongsheng E. , Pandita Raj K. , Cai Jianfeng , Hunt Clayton R. , Taylor John‐Stephen
Published: December 2011

Heat shock proteins (HSPs) are known to protect cells from heat, oxidative stress, and the cytotoxic effects of drugs, and thus can enhance cancer cell survival. As a result, HSPs are a newly emerging class of protein targets for chemotherapy. Among the various HSPs, the HSP70 family is the most highly conserved and prevalent. Herein we describe the development of a β‐alanine rich linear polyamide that binds the GGA heat shock elements (HSEs) 3 and 4 in the HSP70 promoter in an unusual 1:1 mode and inhibits heat shock transcription factor 1 (HSF1) binding in vitro.
Tuning the Transition Temperature and Cooperativity of bapbpy‐Based Mononuclear Spin‐Crossover Compounds: Interplay between Molecular and Crystal Engineering
Authors: Arcis‐Castíllo Zulema , Zheng Sipeng , Siegler Maxime A. , Roubeau Olivier , Bedoui Salma , Bonnet Sylvestre
Published: December 2011

In this study, we show that 1) different isomers of the same mononuclear iron(II) complex give materials with different spin‐crossover (hereafter SCO) properties, and 2) minor modifications of the bapbpy (bapbpy=N6,N6′‐di(pyridin‐2‐yl)‐2,2′‐bipyridine‐6,6′‐diamine) ligand allows SCO to be obtained near room temperature. We also provide a qualitative model to understand the link between the structure of bapbpy‐based ligands and the SCO properties of their iron(II) compounds. Thus, seven new trans‐[Fe{R2(bapbpy)}(NCS)2] compounds were prepared, in which the R2bapbpy ligand bears picoline (9–12), quin‐2‐oline (13), isoquin‐3‐oline (14), or isoquin‐1‐oline (15) substituents. From this series, three compounds (12, 14, and 15) have SCO properties, one of which (15) occurs at 288 K. The crystal structures of compounds 11, 12, and 15 show that the intermolecular interactions in these materials are similar to those found in the parent compound [Fe(bapbpy)(NCS)2] (1), in which each iron complex interacts with its neighbors through weak NH⋅⋅⋅S hydrogen bonding and π–π stacking. For compounds 12 and 15, hindering groups located near the NH bridges weaken the NS intermolecular interactions, which is correlated to non‐cooperative SCO. For compound 14, the substitution is further away from the NH bridges, and the SCO remains cooperative as in 1 with a hysteresis cycle. Optical microscopy photographs show the strikingly different spatio‐temporal evolution of the phase transition in the noncooperative SCO compound 12 relative to that found in 1. Heat‐capacity measurements were made for compounds 1, 12, 14, and 15 and fitted to the Sorai domain model. The number n of like‐spin SCO centers per interacting domain, which is related to the cooperativity of the spin transition, was found high for compounds 1 and 14 and low for compounds 12 and 15. Finally, we found that although both pairs of compounds 11/12 and 14/15 are pairs of isomers their SCO properties are surprisingly different.
A Self‐Assembled Complex with a Titanium(IV) Catecholate Core as a Potential Bimodal Contrast Agent
Authors: Dehaen Geert , Eliseeva Svetlana V. , Kimpe Kristof , Laurent Sophie , Vander Elst Luce , Muller Robert N. , Dehaen Wim , Binnemans Koen , Parac‐Vogt Tatjana N.
Published: December 2011

A ditopic chelating ligand (H64) that bears catechol and diethylenetriamine‐N,N,N′,N′′,N′′‐pentaacetate (DTPA) has been designed and shown to specifically bind lanthanide(III) ions at the DTPA core ([Ln(H24)(H2O)]−) and further self‐assemble with titanium(IV), thereby giving rise to the formation of a supramolecular metallostar complex with a lanthanide(III)‐to‐titanium(IV) ratio of 3:1, [(Ln4)3Ti(H2O)3]5− (Ln=La, Eu, Gd). The efficacy of the metallostar complex as a potential bimodal optical/magnetic resonance imaging (MRI) agent has been evaluated. Nuclear magnetic relaxation dispersion (NMRD) measurements for the [(Gd4)3Ti(H2O)3]5− complex have demonstrated an enhanced r1 relaxivity that corresponds to 36.9 s−1 mM−1 per metallostar molecule at 20 MHz and 310 K, which is a result of a decreased tumbling rate. The ability of the complex to bind to human serum albumin (HSA) was also examined by relaxometric measurements. In addition, upon UV irradiation the [(Gd4)3Ti(H2O)3]5− complex exhibits broad‐band green emission in the range 400–750 nm with a maximum at 490 nm. Taking into account the high relaxivity and luminescence properties, the [(Gd4)3Ti(H2O)3]5− complex is a good lead compound for the development of efficient bimodal contrast agents.
Construction of Metal–Organic Frameworks: Versatile Behaviour of a Ligand Containing Mono‐ and Bidentate Coordination Sites
Authors: Jacobs Tia , Hardie Michaele J.
Published: December 2011

Five new coordination polymers based on a new 2,2′‐bipyridine derived ligand N,N′‐bis(pyridin‐4‐yl)‐2,2′‐bipyridine‐5,5′‐dicarboxamide (=L) are reported herein. Isostructural three‐dimensional coordination polymers with a rare (4,6)‐connected network of {44.62}3{46.89}2 topology were synthesised from Cu(NO3)2, Zn(NO3)2 or a mixture of Cu(NO3)2/Fe(BF4)2 with L in complexes {[Cu5L6]⋅(NO3)10⋅(H2O)18}∞ (1), {[Zn5L6]⋅(NO3)10⋅(H2O)18}∞ (2) and {[FexCuyL6]⋅(NO3)10⋅(H2O)18}∞ (3; where x+y=5). Complexes with two‐dimensional grid structures resulted from treatment with CoCl2 or Cd(NO3)2 with L in complexes {[CoLCl2]⋅DMF}∞ (4) and {CdL(NO3)2}∞ (5).
Striking Alkenol Versus Allenol Reactivity: Metal‐Catalyzed Chemodifferentiating Oxycyclization of Enallenols
Authors: Alcaide Benito , Almendros Pedro , Martínez del Campo Teresa , Redondo María C. , Fernández Israel
Published: December 2011

An efficient chemodivergent metal‐controlled methodology for the generation of different highly functionalized oxygen heterocycles from common enallenol substrates has been developed. Chemoselectivity control in the OC functionalization of an enallenol can be achieved through the choice of catalyst: AuCl3, PdCl2, and [PtCl2(CH2CH2)]2 exclusively afford dihydrofurans through selective activation of the allenol moiety, whereas FeCl3 solely gives tetrahydrofurans or tetrahydropyrans through selective activation of the alkenol moiety. We have also shown that a combination of metal‐mediated hydroalkoxylation and allenic aminocyclization reactions can lead to a useful preparation of the tetrahydrofuro[3,2‐b]piperidine core of the antimalarial alkaloid isofebrifugine. These divergent heterocyclization reactions have been developed experimentally and additionally, their mechanisms have been investigated by a theoretical study.
Addition of Alkynes to a Gallium Bis‐Amido Complex: Imitation of Transition‐Metal‐Based Catalytic Systems
Authors: Fedushkin Igor L. , Nikipelov Alexander S. , Morozov Alexander G. , Skatova Alexandra A. , Cherkasov Anton V. , Abakumov Gleb A.
Published: December 2011

Acetylene, phenylacetylene, and alkylbutynoates add reversibly to (dpp‐bian)Ga–Ga(dpp‐bian) (dpp‐bian=1,2‐bis[(2,6‐diisopropylphenyl)‐imino]acenaphthene) to give addition products [dpp‐bian(R1CCR2)]Ga–Ga[(R2CCR1)dpp‐bian]. The alkyne adds across the GaNC section, which results in new carbon–carbon and carbon–gallium bonds. The adducts were characterized by electron absorption, IR, and 1H NMR spectroscopy and their molecular structures have been determined by single‐crystal X‐ray analysis. According to the X‐ray data, a change in the coordination number of gallium from three [in (dpp‐bian)Ga–Ga(dpp‐bian)] to four (in the adducts) results in elongation of the metal–metal bond by approximately 0.13 Å. The adducts undergo a facile alkynes elimination at elevated temperatures. The equilibrium between [dpp‐bian(PhCCH)]Ga–Ga[(HCCPh)dpp‐bian] and [(dpp‐bian)Ga–Ga(dpp‐bian) + 2 PhCCH] in toluene solution was studied by 1H NMR spectroscopy. The equilibrium constants at various temperatures (298≤T≤323 K) were determined, from which the thermodynamic parameters for the phenylacetylene elimination were calculated (ΔG°=2.4 kJ mol−1, ΔH°=46.0 kJ mol−1, ΔS°=146.0 J K−1mol−1). The reactivity of (dpp‐bian)Ga–Ga(dpp‐bian) towards alkynes permits use as a catalyst for carbon–nitrogen and carbon–carbon bond‐forming reactions. The bisgallium complex was found to be a highly effective catalyst for the hydroamination of phenylacetylene with anilines. For instance, with [(dpp‐bian)Ga–Ga(dpp‐bian)] (2 mol %) in benzene more than 99 % conversion of PhNH2 and PhCCH into PhNC(Ph)CH3 was achieved in 16 h at 90 °C. Under similar conditions, the reaction of 1‐aminoanthracene with PhCCH catalyzed by (dpp‐bian)Ga–Ga(dpp‐bian) formed a carbon–carbon bond to afford 1‐amino‐2‐(1‐phenylvinyl)anthracene in 99 % yield.
Amination with PdNHC Complexes: Rate and Computational Studies Involving Substituted Aniline Substrates
Authors: Hoi Ka Hou , Çalimsiz Selçuk , Froese Robert D. J. , Hopkinson Alan C. , Organ Michael G.
Published: December 2011

The amination of aryl chlorides with various aniline derivatives using the N‐heterocyclic carbene‐based Pd complexes Pd‐PEPPSI‐IPr and Pd‐PEPPSI‐IPent (PEPPSI=pyridine, enhanced precatalyst, preparation, stabilization, and initiation; IPr=diisopropylphenylimidazolium derivative; IPent= diisopentylphenylimidazolium derivative) has been studied. Rate studies have shown a reliance on the aryl chloride to be electron poor, although oxidative addition is not rate limiting. Anilines couple best when they are electron rich, which would seem to discount deprotonation of the intermediate metal ammonium complex as being rate limiting in favour of reductive elimination. In previous studies with secondary amines using PEPPSI complexes, deprotonation was proposed to be the slow step in the cycle. These experimental findings relating to mechanism were corroborated by computation. Pd‐PEPPSI‐IPr and the more hindered Pd‐PEPPSI‐IPent catalysts were used to couple deactivated aryl chlorides with electron poor anilines; while the IPr catalysis was sluggish, the IPent catalyst performed extremely well, again showing the high reactivity of this broadly useful catalyst.
Tandem Arrays of TEMPO and Nitronyl Nitroxide Radicals with Designed Arrangements on DNA
Authors: Atsumi Hiroshi , Maekawa Kensuke , Nakazawa Shigeaki , Shiomi Daisuke , Sato Kazunobu , Kitagawa Masahiro , Takui Takeji , Nakatani Kazuhiko
Published: December 2011

Herein we describe one‐dimensional electron‐spin arrays consisting of two different organic radicals with the designed arrangement based on the DNA sequence. Two mismatch‐binding ligands carrying 2,2,6,6‐tetramethylpiperidine N‐oxide (TEMPO) and nitronyl nitroxide selectively bind to the predetermined sites on double stranded DNA. By using the two mismatch‐binding ligands carrying the organic radicals as the glue for DNA, electron‐spin assembly could be successfully synchronized with the hybridization. Periodically and tandemly arranged, two kinds of organic radical molecules at designed positions might be useful for an approach to build up scalable qubits of electron‐spin‐based quantum computing. The approach using DNA nanostructures as a scaffold to assembly functional small molecules can afford one of the promising ways for the future application of DNA nanostructures and nanotechnology.
A Perylene Diimide Rotaxane: Synthesis, Structure and Electrochemically Driven De‐Threading
Authors: Slater Benjamin J. , Davies E. Stephen , Argent Stephen P. , Nowell Harriott , Lewis William , Blake Alexander J. , Champness Neil R.
Published: December 2011

The first example of a [2]‐rotaxane in which a perylene diimide acts as a recognition site has been synthesised and characterised. The interlocked nature of the compound has been verified by both NMR studies and an X‐ray structure determination. Electrochemical investigations confirm that the nature of the redox processes associated with the perylene diimide are modified by the complexation process and that it is possible to mono‐reduce the [2]‐rotaxane to give a radical anion based rotaxane. Further reduction of the compound leads to de‐threading of the macrocycle from the reduced PTCDI recognition site. Our synthetic strategies confirm the potential of PTCDI‐based rotaxanes as viable targets for the preparation of complex interlocked species.
Stereoselective degradation of tebuconazole in rat liver microsomes
Authors: Shen Zhigang , Zhu Wentao , Liu Donghui , Xu Xinyuan , Zhang Ping , Zhou Zhiqiang
Published: December 2011

The aim of this study was to assess the stereoselectivity of two tebuconazole [(RS)‐1‐p‐chlorophenyl‐4,4‐dimethyl‐3‐(1H‐1,2,4‐triazol‐1‐ylmethyl)pentan‐3‐ol] enantiomers in in vitro system (rat liver microsomes). The analytes were extracted with acetic ether and concentrations were determined by high performance liquid chromatography (HPLC) with a cellulose tris(3,5‐dimethylphenylcarbamate)‐based chiral stationary phase. The degradation of rac‐tebuconazole (15 μM) followed first‐order kinetics, and the degradation of the S‐tebuconazole (t1/2 = 22.31 min) was faster than that of the R‐tebuconazole (t1/2 = 48.76 min), but no significant difference between the enantiomers was found in the respective incubation (7.5 μM for each). Kinetic assays showed that the Km was different between the two enantiomers (KmR = 14.83 ± 2.19, KmS = 12.23 ± 2.72). The interaction results revealed that there was competitive inhibition between S‐ and R‐form, and there was a significant difference between the IC50 of R‐ to S‐tebuconazole and S‐ to R‐tebuconazole (IC50R/S/IC50S/R = 4.98). Chirality. © 2011 Wiley Periodicals, Inc.
Study on the metabolic mechanism of chiral inversion of S‐Mandelic acid in vitro
Authors: Gao Ling‐Bo , Wang Jin‐Zhao , Yao Tong‐Wei , Zeng Su
Published: December 2011

Mandelic acid (MA) is generally used as a biological indicator of occupational exposure to styrene, which is classified as a class of hazardous environmental pollutants. It was found to undergo one‐directional chiral inversion (S‐MA to R‐MA) in Wistar and Sprague‐Dawley rats in vivo. This study was aimed to explore the metabolic mechanism of chiral inversion of S‐MA in vitro. S‐MA was converted to R‐MA in rat hepatocytes, whereas MA enantiomers remained unchanged in acidic and neutral phosphate buffers, HepG2 cells, and intestinal flora. In addition, the synthesized S‐MA‐CoA thioester was rapidly racemized and hydrolyzed to R‐MA by rat liver homogenate and S9, cytosolic and mitochondrial fractions. The data suggest that chiral inversion of S‐MA may involve the hydrolysis of S‐MA‐CoA, and its metabolic mechanism could be the same as that of 2‐arylpropionic acid (2‐APA) drugs. Chirality 24:86–95, 2012. © 2011 Wiley Periodicals, Inc.
On chirality transfer in electron donor–acceptor complexes. A prediction for the sulfinimine···BF3 system
Authors: Rode Joanna E. , Dobrowolski Jan CZ.
Published: December 2011

Stabilization energies of the electron donor–acceptor sulfinimine···BF3 complexes calculated at either the B3LYP/aug‐cc‐pVTZ or the MP2/aug‐cc‐pVTZ level do not allow to judge, whether the N‐ or O‐atom in sulfinimine is stronger electron‐donor to BF3. The problem seems to be solvable because chirality transfer phenomenon between chiral sulfinimine and achiral BF3 is expected to be vibrational circular dichroism (VCD) active. Moreover, the bands associated with the achiral BF3 molecule are predicted to be the most intense in the entire spectrum. However, the VCD band robustness analyses show that most of the chirality transfer modes of BF3 are unreliable. Conversely, variation of VCD intensity with change of intermolecular distance, angle, and selected dihedrals between the complex partners shows that to establish the robustness of chirality transfer mode. It is also necessary to determine the influence of the potential energy surface (PES) shape on the VCD intensity. At the moment, there is still no universal criterion for the chirality transfer mode robustness and the conclusions formulated based on one system cannot be directly transferred even to a quite similar one. However, it is certain that more attention should be focused on relation of PES shape and the VCD mode robustness problem. Chirality. © 2011 Wiley Periodicals, Inc.
Prognostic and therapeutic impact of the chromosome 20q13.2 ZNF217 locus amplification in ovarian clear cell carcinoma
Authors: Rahman Mohammed Tanjimur , Nakayama Kentaro , Rahman Munmun , Nakayama Naomi , Ishikawa Masako , Katagiri Atsuko , Iida Kouji , Nakayama Satoru , Otsuki Yoshiro , Shih Ie‐Ming , Miyazaki Kohji
Published: December 2011

BACKGROUND:

The goal of this study was to examine the clinical significance of ZNF217 amplification and assess whether ZNF217 could be a potential therapeutic target in ovarian clear cell carcinoma (OCCC).

METHODS:

ZNF217 expression and amplification in OCCC was assessed by immunohistochemistry, fluorescence in situ hybridization, and clinical data collected via a retrospective chart review. ZNF217 gene knockdown using silencing RNA (siRNA) was used to assess ZNF217 functions in OCCC cell lines.

RESULTS:

Gene amplification was identified in 12 of 60 (20.0%) OCCCs. ZNF217 copy number correlated significantly with ZNF217 protein expression (r = 0.341; P<.01). ZNF217 amplification correlated significantly with shorter progression‐free (P = .0042) and overall (P = .0199) survival. There were nonsignificant trends between high ZNF217 protein expression and poor progression‐free (P = .2594) and overall (P = .2199) survival. Multivariate analysis revealed ZNF217 gene amplification to be an independent prognostic factor for progression‐free and overall survival after standard platinum agent‐based chemotherapy (P = .0339 and P = .031, respectively). Profound growth inhibition and apoptosis were observed in ZNF217 siRNA‐treated cancer cells with gene amplification compared with cancer cells with ZNF217 moderate expression without ZNF217 gene amplification or with low ZNF217 expression.

CONCLUSION:

These findings indicate that ZNF217 overexpression is critical to growth and survival of OCCCs with ZNF217 gene amplification. Furthermore, they suggest that ZNF217 siRNA‐induced phenotypes depend on amplification status of OCCCs. Therefore, ZNF217‐targeted therapy may benefit OCCC patients with ZNF217 amplification. Cancer 2011. © 2011 American Cancer Society.
Inhibition of the NADPH oxidase regulates heme oxygenase 1 expression in chronic myeloid leukemia
Authors: Singh Melissa M. , Irwin Mary E. , Gao Yin , Ban Kechen , Shi Ping , Arlinghaus Ralph B. , Amin Hesham M. , Chandra Joya
Published: December 2011

BACKGROUND:

Patients with chronic myelogenous leukemia (CML) in blast crisis have a poor response to tyrosine kinase inhibitors designed to inhibit the breakpoint cluster region–v‐Abelson murine leukemia viral oncogene homolog 1 (BCR‐ABL1) oncogene. Recent work has demonstrated that heme oxygenase 1 (HO‐1) expression is increased in BCR‐ABL1–expressing cells and that the inhibition of HO‐1 in CML leads to reduced cellular growth, suggesting that HO‐1 may be a plausible target for therapy. The objective of the current study was to clarify the mechanism of HO‐1 overexpression and the role of the nicotinamide adenine dinucleotide phosphate (NADPH) oxidase as a contributor to this mechanism in CML.

METHODS:

HO‐1 expression was evaluated in bone marrow specimens from patients with CML in various stages of disease, in a transplantation‐based model for CML, and in CML cell lines. Chemical and genetic inhibition of the NADPH oxidase was carried out in CML cells.

RESULTS:

Specimens from patients with CML in blast crisis displayed higher levels of HO‐1 staining than specimens from patients with CML in chronic or accelerated phase. HO‐1 up‐regulation in BCR‐ABL1–expressing cells was suppressed by diphenyleneiodonium (DPI), a chemical inhibitor of the NADPH oxidase. Targeting the NADPH oxidase through RNA interference (RNAi) to Ras‐related C3 botulinum toxin substrate 1 (Rac1), a dominant‐negative Rac1 construct or an inhibitor of Rac1 activity also blunted HO‐1 protein expression. Moreover, inhibition of the NADPH oxidase by RNAi directed toward the 47‐kd cytosolic subunit of Nox (p47phox) similarly abrogated HO‐1 levels.

CONCLUSIONS:

BCR‐ABL1 expression up‐regulated HO‐1, a survival factor for CML cells. This up‐regulation was more pronounced in blast crisis CML relative to early stage disease and was mediated by the NADPH oxidase components Rac1 and p47phox. The expression of p47phox was increased in BCR‐ABL1–expressing cells. Cancer 2011. © 2011 American Cancer Society.
Temporal and geographic variations of Waldenstrom macroglobulinemia incidence
Authors: Wang Haijun , Chen Yiming , Li Fanglin , Delasalle Kay , Wang Jialei , Alexanian Raymond , Kwak Larry , Rustveld Luis , Du Xianglin L. , Wang Michael
Published: December 2011

BACKGROUND:

Waldenstrom macroglobulinemia (WM) is a non‐Hodgkin lymphoma (NHL) subtype. Little is known about the incidence and trends for this disease in the United States.

METHODS:

Twenty‐year data from the Surveillance, Epidemiology, and End Results (SEER) program were used for this study. SEER*Stat was used for data analysis.

RESULTS:

Of the 95,797 cases of NHL diagnosed between 1988 and 2007 in 9 SEER registries, 1835 (1.9%) were new cases of WM. Median age at diagnosis of WM was 73 years. The overall annual age‐adjusted incidence was 0.38 per 100,000 persons per year, which increased with age, ranging from 0.03 in patients aged <50 years to 2.85 in patients aged ≥80 years. The incidence of WM was higher in men (0.54) than in women (0.27; P < .001) and was higher in whites (0.41) than in African Americans (0.18) or other races (0.21; P < .05). The annual percentage change for the whole population was 1.01% (P > .05). The annual percentage change was 1.21% for whites (P < .05) and 0.80% (P > .05) for nonwhites. Significant annual percentage change increases were seen in the group aged 70 to 79 years (1.24%; P < .05) and in 3 geographic registries (P < .001).

CONCLUSIONS:

Although the overall incidence of WM remained steady over time, significant increases in incidence were seen over the past 20 years in whites, in those aged 70 to 79 years, and in 3 geographic registry areas. Cancer 2012. © 2011 American Cancer Society.
Confirmatory factor analysis of the Sexual Adjustment and Body Image Scale in women with gynecologic cancer
Authors: Ferguson Sarah E. , Urowitz Sara , Massey Christine , Wegener Marie , Quartey NaaKwarley , Wiljer David , Classen Catherine C.
Published: December 2011

BACKGROUND:

There is evidence that treatment of gynecologic cancer (GC) negatively affects body image and sexuality. The Sexual Adjustment and Body Image Scale (SABIS‐G) was developed to assess disturbances after diagnosis of GC. The objective of this study was to confirm the factor structure using a confirmatory factor analysis (CFA).

METHODS:

Women with a history of GC completed the SABIS‐G, a 9‐item self‐report measure. Ninety randomly selected participants were used for the exploratory factor analysis (EFA). CFA was performed on the remaining participants (n = 204) to confirm the factor structure developed in the EFA against a one‐factor model. Test‐retest reliability between baseline and follow‐up scores was assessed using the intraclass correlation coefficient.

RESULTS:

A total of 614 eligible patients were approached to participate: 398 (65%) consented to the study and 294 (74%) completed the SABIS‐G. The median age was 53 years (range, 27‐80 years) and the primary site of disease was: 120 (41%) uterine, 85 (29%) ovary, 82 (28%) cervix, and 7 (2%) other. A 2‐factor structure was favored in the EFA, and the CFA fit indices indicated an excellent fit for the 2‐factor measurement model (standardized root‐mean‐square residual = 0.05, non‐normed fit index = 0.97, comparative fit index = 0.98). Internal consistency reliability was high for the Body Image (0.88) and Sexual Adjustment (0.91) subscales, as was test‐retest reliability (0.89).

CONCLUSIONS:

These results confirm the 2‐factor structure of the SABIS‐G and provide evidence that this is a valid and reliable instrument to measure changes in body image and sexuality in women after a diagnosis of GC. Cancer 2012;118: 3095–104. © 2011 American Cancer Society.
Clinical predictors of cognitive function in adults treated with hematopoietic cell transplantation
Authors: Jim Heather S. L. , Small Brent , Hartman Sheri , Franzen Jamie , Millay Shannon , Phillips Kristin , Jacobsen Paul B. , Booth‐Jones Margaret , Pidala Joseph
Published: December 2011

BACKGROUND:

Studies suggest that patients with cancer who undergo hematopoietic cell transplantation (HCT) are at risk for cognitive deficits. To date, little research has investigated the cumulative effects of clinical risk factors on cognitive function in patients who undergo HCT.

METHODS:

Patients (N = 278) who were scheduled to undergo HCT for hematologic disease completed neuropsychological assessments before HCT and at 6 months and 12 months after HCT. A time‐varying cumulative clinical risk variable was examined as a predictor of total neuropsychological performance (TNP). Cumulative clinical risk was calculated from pre‐HCT neuropsychological risk factors (eg, history of cranial irradiation, intrathecal chemotherapy), HCT‐related risk factors (eg, allogeneic transplantation, unrelated donor), and post‐HCT complications (eg, severity of mucositis and enteritis, graft‐versus‐host disease).

RESULTS:

Patients with greater cumulative clinical risk displayed worse TNP at baseline and at 6 months after HCT and less neuropsychological recovery over time than patients who had less risk (Ps < .05). Greater cumulative clinical risk predicted worse performance on tasks assessing executive function at baseline and 6 months after HCT and assessing memory at 6 months and 12 months after HCT (Ps < .05). Among risk variables, length of hospital stay was the only significant predictor of neuropsychological function (P < .05).

CONCLUSIONS:

Findings from this study indicated that clinical risk factors may have a cumulative effect on cognitive function in patients who undergo HCT. Patients who have a complicated clinical course should be referred for evaluation and management of cognitive deficits. Cancer 2011. © 2011 American Cancer Society.
Synthesis of Cyclic Sulfites from Epoxides and Sulfur Dioxide with Silica‐Immobilized Homogeneous Catalysts
Authors: Takenaka Yasumasa , Kiyosu Takahiro , Mori Goro , Choi Jun‐Chul , Fukaya Norihisa , Sakakura Toshiyasu , Yasuda Hiroyuki
Published: December 2011

Quaternary ammonium‐ and amino‐functionalized silica catalysts have been prepared for the selective synthesis of cyclic sulfites from epoxides and sulfur dioxide, demonstrating the effects of immobilizing the homogeneous catalysts on silica. The cycloaddition of sulfur dioxide to various epoxides was conducted under solvent‐free conditions at 100 °C. The quaternary ammonium‐ and amino‐functionalized silica catalysts produced cyclic sulfites in high yields (79–96 %) that are comparable to those produced by the homogeneous catalysts. The functionalized silica catalysts could be separated from the product solution by filtration, thereby avoiding the catalytic decomposition of the cyclic sulfite products upon distillation of the product solution. Heterogenization of a homogeneous catalyst by immobilization can, therefore, improve the efficiency of the purification of crude reaction products. Despite a decrease in catalytic activity after each recycling step, the heterogeneous pyridine‐functionalized silica catalyst provided high yields after as many as five recycling processes.
Sex‐specific genetic variances in life‐history and morphological traits of the seed beetleCallosobruchus maculatus
Authors: Hallsson Lára R. , Björklund Mats
Published: December 2011

Knowledge of heritability and genetic correlations are of central importance in the study of adaptive trait evolution and genetic constraints. We use a paternal half‐sib‐full‐sib breeding design to investigate the genetic architecture of three life‐history and morphological traits in the seed beetle,Callosobruchus maculatus. Heritability was significant for all traits under observation and genetic correlations between traits (rA) were low. Interestingly, we found substantial sex‐specific genetic effects and low genetic correlations between sexes (rMF) in traits that are only moderately (weight at emergence) to slightly (longevity) sexually dimorphic. Furthermore, we found an increased sire () compared to dam () variance component within trait and sex. Our results highlight that the genetic architecture even of the same trait should not be assumed to be the same for males and females. Furthermore, it raises the issue of the presence of unnoticed environmental effects that may inflate estimates of heritability. Overall, our study stresses the fact that estimates of quantitative genetic parameters are not only population, time, environment, but also sex specific. Thus, extrapolation between sexes and studies should be treated with caution.
Iron Coordination Chemistry of N2Py2 Ligands Substituted by Carboxylic Moieties and Their Impact on Alkene Oxidation Catalysis
Authors: Oddon Frédéric , Girgenti Elodie , Lebrun Colette , Marchi‐Delapierre Caroline , Pécaut Jacques , Ménage Stéphane
Published: December 2011

A biomimetic approach based on Rieske dioxygenase mimics has been undertaken, which uses the tetradentate N2Py2 ligand platform that contains two pyridine moieties linked to a 1,2‐diaminoethane or a trans‐1,2‐diaminocyclohexane backbone. Here we report the impact of the incorporation of carboxylic functionalities with the N2Py2 ligand on the catalytic efficiency of its FeII complexes during epoxidation with H2O2 as the oxidant. Five complexes have been characterized in the solid state and solution. The X‐ray structure of a ferrous complex with a ligand that contains two carboxylic acid moieties shows an unexpected N4O3‐type iron coordination sphere. Moreover, the two carboxylic groups of the ligand remain protonated and bound by its sp2 oxygen atom. Two substitutions of the ligand with carboxylic moieties was found to be deleterious to the reactivity of the complex during alkene oxidation, whereas monosubstitution led to a slight change in the reactivity. Moreover, the catalyst built from the optically active trans‐1,2‐diaminocyclohexane backbone, L3, catalyzes the asymmetric epoxidation of trans‐2‐heptene with up to 17 % yield. The addition of acetic acid leads to better selectivity, enantioselectivity (38 %), and yield of the epoxidation of nonaromatic alkenes.
Microwave‐Assisted Cerium(III)‐Promoted Cyclization of Propargyl Amides to Polysubstituted Oxazole Derivatives
Authors: Bartoli Giuseppe , Cimarelli Cristina , Cipolletti Roberto , Diomedi Simone , Giovannini Riccardo , Mari Margherita , Marsili Laura , Marcantoni Enrico
Published: December 2011

Functionalized polysubstituted oxazoles are an important class of five‐membered N,O‐heterocycles that occur widely in the structure of natural products and fine chemicals. They are also often used as building blocks in the synthesis ofheterocyclic molecules with more complex structures. Therefore, efficient synthetic protocols based on Lewis acid promoted reactions are desirable. In this context, we report that, under microwave irradiation, the CeCl3·7H2O/NaI/I2 system is capable of promoting a 5‐exo‐dig cyclization of propargyl amides with good functional group tolerance. The microwave reactor also provides a more convenient and safer method for heating the reaction. This methodology represents a straightforward CeCl3·7H2O/NaI/I2 promoted cyclization using microwave irradiation to accomplish the synthesis of polysubstituted oxazole derivatives.
Reconstructing paleoenvironments and palaeoclimates in drylands: what can landform analysis contribute?
Authors: Thomas David S. G.
Published: December 2011

Quaternary period palaeoenvironmental and palaeoclimatic reconstructions are based on a wide and diverse array of proxy data sets, some of which are geomorphological in nature. In drylands, where organic proxies may be limited, the use of landforms is particularly important, but challenging. The capacity to establish the age of depositional forms, particularly through the use of luminescence dating, has advanced the use of landforms in dryland palaeo‐research, though interpretation of these ‘geoproxy’ records can be complex, especially at the nexus of palaeoclimate and palaeoenvironmental interpretations of past conditions. In this paper the use of aeolian and lacustrine forms in Quaternary research is considered, focusing on the relationships between dynamics, form and climate, and on the essential linkage between process research and palaeoenvironmental research. It is concluded that landform analysis is a critical part of dryland palaeoenvironmental/climate reconstruction, contributing a different set of data compared to other data sources, in terms of the elements of past conditions that are revealed. Five principles are identified to improve the use of geoproxy records in Quaternary research: (1) greater use of geomorphic process studies by Quaternary scientists, to better inform palaeolandform interpretation; (2) further development of the use of chronometric data, especially in terms of interpreting large data; (3) interpret landform records in location‐specific contexts, not in general terms; (4) capitalise of the complexity of spatially‐extensive landform records, which may offer better representations of real Quaternary environmental complexity than ‘at a point’ proxies; (5) establish ways of integrating spatially‐extensive geoproxy records with other palaeoenvironmental records. These challenges are major, but not insurmountable, and should represent goals for geomorphologists, chronologists and quaternary scientists alike. Copyright © 2011 John Wiley & Sons, Ltd.
Thermochemical properties and phase behavior of halogenated polycyclic aromatic hydrocarbons
Authors: Fu Jinxia , Suuberg Eric M.
Published: December 2011

Knowledge of vapor pressure of organic pollutants is essential in predicting their fate and transport in the environment. In the present study, the vapor pressures of 12 halogenated polycyclic aromatic compounds (PACs), 9-chlorofluorene, 2,7-dichlorofluorene, 2-bromofluorene, 9-bromofluorene, 2,7-dibromofluorene, 2-bromoanthracene, 9-chlorophenanthrene, 9-bromophenanthrene, 9,10-dibromophenanthrene, 1-chloropyrene, 7-bromobenz[a]anthracene, and 6,12-dibromochrysene, were measured using the Knudsen effusion method over the temperature range of 301 to 464 K. Enthalpies and entropies of sublimation of these compounds were determined via application of the Clausius–Clapeyron equation. The data were also compared with earlier published literature values to study the influence of halogen substitution on vapor pressure of PACs. As expected, the halogen substitution decreases vapor pressure compared with parent compounds but does not necessarily increase the enthalpy of sublimation. Furthermore, the decrease of vapor pressure also depends on the substitution position and the substituted halogen, and the di-substitution of chlorine and/or bromine decreases the vapor pressure compared with single halogen-substituted polycyclic aromatic hydrocarbons. In addition, the enthalpy of fusion and melting temperature of these 12 PACs were determined using differential scanning calorimetry and melting point analysis. Environ. Toxicol. Chem. 2012;31:486–493. © 2011 SETAC
Accumulation of PAHs and synthetic musk compound in minke whales (Balanoptera acutorostrata) and long-beaked common dolphins (Delphinus capensis) from Korean coastal waters
Authors: Moon Hyo-Bang , An Yong-Rock , Choi Seok-Gwan , Choi Minkyu , Choi Hee-Gu
Published: December 2011

Information on the occurrence and accumulation profiles of polycyclic aromatic hydrocarbons (PAHs) and synthetic musk compounds (SMCs) in marine mammals is scarce. In the present study, we recorded the concentrations and profiles of PAHs and SMCs in liver tissue and blubber from minke whales and common dolphins from Korean coastal waters. The overall concentrations of PAHs and SMCs in blubber from both cetacean species were approximately three to five times higher than those in liver tissues. Residue levels of PAHs were lower, whereas levels of SMCs were relatively higher than those reported in other studies. Lack of species- and sex-dependent differences in the concentrations of PAHs and SMCs were found. Naphthalene and 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta-r-2-benzopyran (HHCB) were predominant compounds in all the samples for PAHs and SMCs, respectively. The concentrations of PAHs and SMCs were significantly correlated with each other, but were not correlated with body size of cetaceans. The present data provide valuable information on the exposure of Korean cetaceans to PAHs and SMCs. Environ. Toxicol. Chem. 2012;31:477–485. © 2011 SETAC