bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Pd‐Mediated Construction of a Cyclopentane Ring Fused with Indoles.
Authors: Prasad Bagineni , Sreenivas B. Yogi , Krishna G. Rama , Kapavarapu Ravikumar , Pal Manojit
Published: October 2013

The Pd‐mediated cascade reaction of iodide (III) involves an intramolecular Heck coupling, a cleavage of two C—N bonds, and formation of several C—C bonds to afford fused cyclopentane indoles (IV).
ChemInform Abstract: Beyond Classical Reactivity Patterns: Shifting from 1,4‐ to 1,6‐Additions in Regio‐ and Enantioselective Organocatalyzed Vinylogous Reactions of Olefinic Lactones with Enals and 2,4‐Dienals.
Authors: Dell'Amico Luca , Albrecht Lukasz , Naicker Tricia , Poulsen Pernille H. , Joergensen Karl Anker
Published: October 2013

The new concept presented here is developed for the unprecedented intermolecular enantioselective organocatalyzed vinylogous 1,6‐addition to linear 2,4‐dienals.
ChemInform Abstract: Propargyl Anthranilate Derivatives and Their Application in the Synthesis of Rings Containing 1,2,3‐Triazolo Motifs.
Authors: Hradilova Ludmila , Grepl Martin , Hlavac Jan , Lycka Antonin , Hradil Pavel
Published: October 2013

Optimized processes for the preparation of propargyl anthranilates (III) and the intramolecular cyclization of their azide derivatives are described and the cytostatic properties of the newly synthesized compounds are evaluated (no appreciable activity found).
ChemInform Abstract: A Simple and General Approach for the Synthesis of Highly Functionalized 6‐Oxo‐1,6‐dihydropyridines.
Authors: Kumar Sukeerthi , Thakur Rajni R. , Margal Sanjay R. , Thomas Abraham
Published: October 2013

Optimized conditions are developed for the selective synthesis of 6‐oxo‐1,6‐dihydropyridines (III) from 2‐cyano‐3,3‐bis(methylthio)arylamides (I) and β‐diketoester (II).
ChemInform Abstract: A Facile and Efficient Solid Supported, One‐Pot Synthesis of Functionalized Piperidine Derivatives Catalyzed by Amberlite IRA400‐Cl Resin/I2/KI via Multicomponent Reaction.
Authors: Harichandran Gurusamy , Amalraj Savarimuthu David , Shanmugam Ponnusamy
Published: October 2013

The formation of the piperidine derivatives is assumed to proceed via reaction of the aldehyde with a β‐ketoester‐derived enolate anion to form an α‐substituted β‐ketoester intermediate.
ChemInform Abstract: Tetraalkynylated and Tetraalkenylated Benzenes and Pyridines: Synthesis and Photophysical Properties.
Authors: Ehlers Peter , Hakobyan Ani , Neubauer Antje , Lochbrunner Stefan , Langer Peter
Published: October 2013

Convenient high yielding procedures are developed for the conversion of 2,3,5,6‐tetrachloropyridine and 1,2,4,5‐tetrachlorobenzene to tetraalkynyl and tetraalkenyl derivatives by four‐fold Sonogashira or Heck reaction.
ChemInform Abstract: Extending the Scope of the Aza‐Fischer Synthesis of 4‐ and 6‐Azaindoles.
Authors: Thomae David , Jeanty Matthieu , Coste Jerome , Guillaumet Gerald , Suzenet Franck
Published: October 2013

The cascade reaction of the Fischer synthesis can be efficiently applied to the formation of 4‐ and 6‐azaindoles using microwave irradiation.
ChemInform Abstract: Synthesis of Pyrido[1,2‐a]benzimidazoles by Photo‐Stimulated C—N Bond Formation via SRN1 Reactions.
Authors: Barolo Silvia M. , Wang You , Rossi Roberto A. , Cuny Gregory D.
Published: October 2013

Optimized reaction conditions are established for an intramolecular SRN1 type cyclization of 2‐(2‐haloarylamino)pyridines (I) to give pyrido[1,2‐a]benzimidazoles in good yield.
ChemInform Abstract: Regioselective Metalations of Pyrimidines and Pyrazines by Using Frustrated Lewis Pairs of BF3·OEt2 and Hindered Magnesium— and Zinc—Amide Bases.
Authors: Groll Klaus , Manolikakes Sophia M. , du Jourdin Xavier Mollat , Jaric Milica , Bredihhin Aleksei , Karaghiosoff Konstantin , Carell Thomas , Knochel Paul
Published: October 2013

This paper describes the regioselective electrophilic substitution of different ring positions in pyrimidine, pyrazine, and thienopyrimidine derivatives.
ChemInform Abstract: Synthesis of Substituted Diazino[c]quinolin‐5(6H)‐ones, Diazino[c]isoquinolin‐6(5H)‐ones, Diazino[c]naphthyridin‐6(5H)‐ones and Diazino[c]naphthyridin‐5(6H)‐ones
Authors: Fresneau Nathalie , Cailly Thomas , Fabis Frederic , Bouillon Jean‐Philippe
Published: October 2013

via one‐pot cross‐coupling/cyclization or two‐step cross‐coupling/KOH‐mediated anionic ring closure reactions
ChemInform Abstract: Synthesis of 3‐Hetaryl‐1,5,3‐dithiazepanes and 3‐Hetaryl‐1,5,3‐dithiazocanes in the Presence of Catalysts Based on Transition Metals.
Authors: Makhmudiyarova N. N. , Prokof'ev K. I. , Mudarisova L. V. , Ibragimov A. G. , Dzhemilev U. M.
Published: October 2013

Additionally 3‐hetaryl‐1,5,3‐dithiazepanes are synthesized in comparable yields to 3‐hetaryl‐1,5,3‐dithiazocanes (IV).
ChemInform Abstract: Efficient Synthesis of 3‐Aryl(hetaryl)‐1,5‐3‐dioxazepanes Involving Catalysts Containing Sm and Co.
Authors: Makhmudiyarova N. N. , Prokof'ev K. I. , Mudarisova L. V. , Ibragimov A. G. , Dzhemilev U. M.
Published: October 2013

The synthesis of compounds (III) from dioxazepane (I) and aryl amine (II) is also possible with CoCl2 as catalyst.
ChemInform Abstract: Removal of an Anionic Dye, Orange G from Aqueous Solutions by Adsorption on Unmodified Sheesham (Dalbergia sisso) Saw Dust.
Authors: Banerjee Sushmita , Nigam Vriddhi , Gautam Ravindra Kumar , Halder Sudeep , Chattopadhyaya M. C.
Published: October 2013

Kinetic and equilibrium studies show that unmodified, nontoxic, and readily available sheesham saw dust can be efficiently used to remove toxic dye Orange G from aqueous solutions simply by adsorption.
ChemInform Abstract: Sesterterpene Glycinyl‐Lactams: A New Class of Glycine Receptor Modulator from Australian Marine Sponges of the Genus Psammocinia.
Authors: Capon Robert J. , et al. et al.
Published: October 2013

The rare marine sesterterpenes (‐)‐ircinianin (Ia) and (‐)‐ircinianin sulfate (Ib), along with the new biosynthetically related metabolites (‐)‐ircinianin lactam A (Ic), (‐)‐ircinianin lactam A sulfate (Id), (‐)‐oxoircinianin (IIa), (‐)‐oxoircinianin lactam A (IIb) and (‐)‐ircinianin lactone A (Ie) are presented.
ChemInform Abstract: Total Syntheses of Eudistomins Y1—Y7 by an Efficient One‐Pot Process of Tandem Benzylic Oxidation and Aromatization of 1‐Benzyl‐3,4‐dihydro‐β‐carbolines.
Authors: Trieu Tien Ha , Dong Jing , Zhang Qiang , Zheng Bo , Meng Tian‐Zhuo , Lu Xia , Shi Xiao‐Xin
Published: October 2013

The first total synthesis of eudistomin Y7 (Ia) and total syntheses of eudistomins Y1‐Y6 (Ib‐g) are described.
ChemInform Abstract: Structure and Biosynthesis of Scabichelin, a Novel Tris‐Hydroxamate Siderophore Produced by the Plant Pathogen Streptomyces scabies 87.22.
Authors: Kodani Shinya , Bicz Joanna , Song Lijiang , Deeth Robert J. , Ohnishi‐Kameyama Mayumi , Yoshida Mitsuru , Ochi Kozo , Challis Gregory L.
Published: October 2013

isolation and structure elucidation of scabichelin (Ia) and turgichelin (Ib)
ChemInform Abstract: A Stereoselective Approach for the Southeast Segment (C1—C16) of (+)‐Sorangicin A.
Authors: Sridhar Y. , Srihari P.
Published: October 2013

The authors′ approach to the total synthesis of sorangicin A (II) features the generation of the C1‐C16 fragment (I).
ChemInform Abstract: Synthesis and Radical Scavenging Activities of Resveratrol Analogues.
Authors: Csuk Rene , Albert Sabrina , Siewert Bianka
Published: October 2013

56 Resveratrol analogs of type (I) are prepared by the Pd‐catalyzed Mizoroki—Heck reaction of styrols with brominated benzenes in triethanolamine.
ChemInform Abstract: ZnO Nanorods Arrays and Heterostructures for the High Sensitive UV Photodetection
Authors: Dhara Soumen , Giri P. K.
Published: October 2013

Review: 107 refs.
ChemInform Abstract: Click Chemistry in Peptide Science: A Mini‐Review: Synthesis of Clickable Peptides and Applications
Authors: Thundimadathil Jyothi
Published: October 2013

Review: 30 refs.
ChemInform Abstract: Rapid Enantiomeric Excess Determination
Authors: Trapp Oliver
Published: October 2013

Review: 29 refs.
ChemInform Abstract: Recent Approaches to the Synthesis of Aripiprazole — A New Generation Antipsychotic Drug
Authors: Kowalski Piotr , Jaskowska Jolanta , Majka Zbigniew
Published: October 2013

Review: 67 refs.
ChemInform Abstract: Organocatalysis in Synthesis and Reactions of Epoxides and Aziridines
Authors: Chawla Ruchi , Singh Atul K. , Yadav Lal Dhar S.
Published: October 2013

Review: 92 refs.
ChemInform Abstract: Role of Organolithium Aggregates and Mixed Aggregates in Organolithium Mechanisms
Authors: Reich Hans J.
Published: October 2013

Review: 730 refs.
ChemInform Abstract: Concerted Reactions That Produce Diradicals and Zwitterions: Electronic, Steric, Conformational, and Kinetic Control of Cycloaromatization Processes
Authors: Mohamed Rana K. , Peterson Paul W. , Alabugin Igor V.
Published: October 2013

Review: 391 refs.
ChemInform Abstract: In‐situ Techniques for Homogeneous Catalysis
Authors: Selent Detlef , Heller Detlef
Published: October 2013

Review: 51 refs.
ChemInform Abstract: Understanding Diluted Dispersions of Superparamagnetic Particles under Strong Magnetic Fields. A Review of Concepts, Theory and Simulations
Authors: Faraudo Jordi , Andreu Jordi S. , Camacho Juan
Published: October 2013

Review: 67 refs.
ChemInform Abstract: Structure and Physico‐Chemical Properties of Ionic Liquids: What Mass Spectrometry Is Telling Us
Authors: Dupont Jairton , Eberlin Marcos N.
Published: October 2013

Review: 111 refs.
ChemInform Abstract: Modulation of NMDA Receptor Function as a Treatment for Schizophrenia
Authors: Cioffi Christopher L.
Published: October 2013

Review: 224 refs.
ChemInform Abstract: Dendritic Polyoxometalate Hybrids: Efficient and Recoverable Catalysts for Oxidation Reactions
Authors: Nlate Sylvain , Jahier Claire
Published: October 2013

Review: 65 refs.
ChemInform Abstract: Origin of Antiferromagnetism in Molecular and Periodic Systems in the Original Kohn‐Sham Local Density Approximation
Authors: Fukushima Kimichika
Published: October 2013

Review: 54 refs.
ChemInform Abstract: Theories on Frustrated Electrons in Two‐Dimensional Organic Solids
Authors: Hotta Chisa
Published: October 2013

Review: 112 refs.
Discovery of MK‐8742: An HCV NS5A Inhibitor with Broad Genotype Activity
Authors: Coburn Craig A. , Meinke Peter T. , Chang Wei , Fandozzi Christine M. , Graham Donald J. , Hu Bin , Huang Qian , Kargman Stacia , Kozlowski Joseph , Liu Rong , McCauley John A. , Nomeir Amin A. , Soll Richard M. , Vacca Joseph P. , Wang Dahai , Wu Hao , Zhong Bin , Olsen David B. , Ludmerer Steven W.
Published: October 2013

The NS5A protein plays a critical role in the replication of HCV and has been the focus of numerous research efforts over the past few years. NS5A inhibitors have shown impressive in vitro potency profiles in HCV replicon assays, making them attractive components for inclusion in all oral combination regimens. Early work in the NS5A arena led to the discovery of our first clinical candidate, MK‐4882 [2‐((S)‐pyrrolidin‐2‐yl)‐5‐(2‐(4‐(5‐((S)‐pyrrolidin‐2‐yl)‐1H‐imidazol‐2‐yl)phenyl)benzofuran‐5‐yl)‐1H‐imidazole]. While preclinical proof‐of‐concept studies in HCV‐infected chimpanzees harboring chronic genotype 1 infections resulted in significant decreases in viral load after both single‐ and multiple‐dose treatments, viral breakthrough proved to be a concern, thus necessitating the development of compounds with increased potency against a number of genotypes and NS5A resistance mutations. Modification of the MK‐4882 core scaffold by introduction of a cyclic constraint afforded a series of tetracyclic inhibitors, which showed improved virologic profiles. Herein we describe the research efforts that led to the discovery of MK‐8742, a tetracyclic indole‐based NS5A inhibitor, which is currently in phase 2b clinical trials as part of an all‐oral, interferon‐free regimen for the treatment of HCV infection.
A global analysis of multitrial data investigating quality of life and symptoms as prognostic factors for survival in different tumor sites
Authors: Quinten Chantal , Martinelli Francesca , Coens Corneel , Sprangers Mirjam A. G. , Ringash Jolie , Gotay Carolyn , Bjordal Kristin , Greimel Eva , Reeve Bryce B. , Maringwa John , Ediebah Divine E. , Zikos Efstathios , King Madeleine T. , Osoba David , Taphoorn Martin J. , Flechtner Henning , Schmucker‐Von Koch Joseph , Weis Joachim , Bottomley Andrew ,   on behalf of Patient Reported Outcomes and Behavioral Evidence (PROBE) and the European Organization for Research and Treatment of Cancer (EORTC) Clinical Groups
Published: October 2013

BACKGROUND

The objective of this study was to examine the prognostic value of baseline health‐related quality of life (HRQOL) for survival with regard to different cancer sites using 1 standardized and validated patient self‐assessment tool.

METHODS

In total, 11 different cancer sites pooled from 30 European Organization for Research and Treatment of Cancer (EORTC) randomized controlled trials were selected for this study. For each cancer site, univariate and multivariate Cox proportional hazards modeling was used to assess the prognostic value (P < .05) of 15 HRQOL parameters using the EORTC Core Quality of Life Questionnaire (QLQ‐C30). Models were adjusted for age, sex, and World Health Organization performance status and were stratified by distant metastasis.

RESULTS

In total, 7417 patients completed the EORTC QLQ‐C30 before randomization. In brain cancer, cognitive functioning was predictive for survival; in breast cancer, physical functioning, emotional functioning, global health status, and nausea and vomiting were predictive for survival; in colorectal cancer, physical functioning, nausea and vomiting, pain, and appetite loss were predictive for survival; in esophageal cancer, physical functioning and social functioning were predictive for survival; in head and neck cancer, emotional functioning, nausea and vomiting, and dyspnea were predictive for survival; in lung cancer, physical functioning and pain were predictive for survival; in melanoma, physical functioning was predictive for survival; in ovarian cancer, nausea and vomiting were predictive for survival; in pancreatic cancer, global health status was predictive for survival; in prostate cancer, role functioning and appetite loss were predictive for survival; and, in testis cancer, role functioning was predictive for survival.

CONCLUSIONS

The current results demonstrated that, for each cancer site, at least 1 HRQOL domain provided prognostic information that was additive over and above clinical and sociodemographic variables.Cancer2014;120:302–311. ©2013 American Cancer Society.
Molecular neuroanatomy and chemoarchitecture of the neurosecretory preoptic‐hypothalamic area in zebrafish larvae
Authors: Herget Ulrich , Wolf Andrea , Wullimann Mario F. , Ryu Soojin
Published: October 2013

The paraventricular nucleus (PVN) in mammals is the main hypothalamic nucleus controlling hormone release in the pituitary and plays pivotal roles in homeostasis. While the location of a PVN‐homologous region has been described in adult fish as the neurosecretory preoptic area (NPO), this region has not been clearly defined in larval zebrafish due to the difficulty in defining cytoarchitectonic nuclear boundaries in the larval brain. Here we identify the precise location of the larval zebrafish NPO using conserved transcription factor and neuropeptide gene expressions. Our results identify the dorsal half of the preoptic‐hypothalamic orthopedia a (otpa) domain as the larval NPO and the homologous region to the mammalian PVN. Further, by reconstructing the locations of cells producing zebrafish neuropeptides found in the mammalian PVN (CCK, CRH, ENK, NTS, SS, VIP, OXT, AVP), we provide the first 3D arrangement map of NPO neuropeptides in the larval zebrafish brain. Our results show striking conservation of transcription factor expression (otp, arx, dlx5a, isl1) in and around the NPO/PVN together with neuropeptide expression within it. Finally, we describe the exact anatomical location of cells producing Oxt and Avp in the adult zebrafish. Thus, our results identify the definitive borders and extent of the PVN homologous region in larval zebrafish and serve as an important basis for cross‐species comparisons of PVN/NPO structure and function. J. Comp. Neurol. 522:1542–1564, 2014. © 2013 Wiley Periodicals, Inc.
A comparative study of parallel software SURF implementations
Authors: Hidalgo‐Paniagua Alejandro , Vega‐Rodríguez Miguel A. , Pavón Nieves , Ferruz Joaquín
Published: October 2013

Nowadays, it is common to find problems that require recognizing objects in an image, tracking them along time, or recognizing a complete real‐world scene. One of the most known and used algorithms to solve these problems is the Speeded Up Robust Features (SURF) algorithm. SURF is a fast and robust local, scale and rotation invariant, features detector. This means that it can be used for detecting and describing a set of points of interest (keypoints) from an image. Because of the importance of this algorithm and the rise of the parallelism‐based technologies, in the last years, diverse parallel implementations of SURF have been proposed. These parallel implementations are based on very different techniques: Compute Unified Device Architecture, OpenMp, OpenCL, and so on. In conclusion, we think valuable a comparative study of all of them highlighting the advantages and disadvantages of each parallel implementation. To our best knowledge, this article is the first attempt to do this comparative study. In order to make this study, we have used the standard metrics and image collection in this field, as well as other important metrics in parallelism as speedup and efficiency. Copyright © 2013 John Wiley & Sons, Ltd.
Comparative phylogeography of two sympatric beeches in subtropical China: Species‐specific geographic mosaic of lineages
Authors: Zhang Zhi‐Yong , Wu Rong , Wang Qun , Zhang Zhi‐Rong , López‐Pujol Jordi , Fan Deng‐Mei , Li De‐Zhu
Published: October 2013

In subtropical China, large‐scale phylogeographic comparisons among multiple sympatric plants with similar ecological preferences are scarce, making generalizations about common response to historical events necessarily tentative. A phylogeographic comparison of two sympatric Chinese beeches (Fagus lucida and F. longipetiolata, 21 and 28 populations, respectively) was conducted to test whether they have responded to historical events in a concerted fashion and to determine whether their phylogeographic structure is exclusively due to Quaternary events or it is also associated with pre‐Quaternary events. Twenty‐three haplotypes were recovered for F. lucida and F. longipetiolata (14 each one and five shared). Both species exhibited a species‐specific mosaic distribution of haplotypes, with many of them being range‐restricted and even private to populations. The two beeches had comparable total haplotype diversity but F. lucida had much higher within‐population diversity than F. longipetiolata. Molecular dating showed that the time to most recent common ancestor of all haplotypes was 6.36 Ma, with most haplotypes differentiating during the Quaternary. [Correction added on 14 October 2013, after first online publication: the time
unit has been corrected to ‘6.36’.] Our results support a late Miocene origin and southwards colonization of Chinese beeches when the aridity in Central Asia intensified and the monsoon climate began to dominate the East Asia. During the Quaternary, long‐term isolation in subtropical mountains of China coupled with limited gene flow would have lead to the current species‐specific mosaic distribution of lineages.
3D Organization of Dysprosium Cubanes
Authors: Yi Xiaohui , Bernot Kevin , Calvez Guillaume , Daiguebonne Carole , Guillou Olivier
Published: October 2013

The reaction of isonicotinic acid N‐oxide and Dy(NO)3·6H2O under aerobic conditions leads to the formation of a porous lanthanide, a cubane‐based 3D edifice of the formula [Dy4(μ3‐OH)3(μ3‐O)(NOPyCOO)6(OH)(H2O)3·(DMF)3(H2O)12]∞ (NOPyCOO = pyridine‐4‐carboxylate N‐oxide). Crystal structure investigations show that the [Dy4(μ3‐OH)3(μ3‐O)] cubane cores are interconnected by organic ligands to form an extended porous structure. Thermogravimetric analyses and temperature‐dependent X‐ray diffraction analyses evidence that the compound is stable upon dehydration/desolvatation up to 200 °C. Calculations for the N2 kinetic radius afford a void volume of 3603 Å3 per unit cell (33.8 %) and a potential porosity of 1400 m2 g–1. The large pores can potentially host molecules with a projected surface area as large as 20 Å2 into a large pore volume (600 Å3). Moreover, the onset of a slow magnetic relaxation has been observed and rationalized by a comparison with closely related 0D and 2D compounds.
Binuclear Cage‐Like Copper(II) Silsesquioxane (“Cooling Tower”) – Its High Catalytic Activity in the Oxidation of Benzene and Alcohols
Authors: Bilyachenko Alexey N. , Dronova Marina S. , Yalymov Alexey I. , Korlyukov Alexander A. , Shul'pina Lidia S. , Arkhipov Dmitry E. , Shubina Elena S. , Levitsky Mikhail M. , Kirilin Alexey D. , Shul'pin Georgiy B.
Published: October 2013

Invited for the cover of this issue is the group of Alexey Bilyachenko at the Nesmeyanov Institute of Organoelement Compounds. The cover image illustrates a symbolic process of benzene/alcohol oxidation catalysis by the binuclear cage‐like copper(II) silsesquioxane with an unprecedented structure (“Cooling Tower”).
Enantioselective Organocatalytic Synthesis of Sulfur‐Containing Spirocyclic Compounds
Authors: Géant Pierre‐Yves , Urban Michal , Remeš Marek , Císařová Ivana , Veselý Jan
Published: October 2013

Two different enantioselective organocatalytic cascade reactions to form new sulfur‐containing spirocyclic scaffolds are described. In the first approach, benzothiophen‐2‐one and enals react in the presence of a secondary amine catalyst through a Michael/Michael/Aldol sequence to afford the final spiro‐cyclohexene carbaldehydes in good yields (up to 68 %) and with excellent selectivities [20:1 diastereomeric ratio (dr), up to 99 % ee]. In the second approach, the double Michael addition of benzothiophen‐2‐one to aromatic dienones with primary amine catalysis produces the corresponding spiro‐cyclohexanones in good yields (up to 76 %) and with moderate‐to‐high selectivities (up to 12:1 dr, up to 90 % ee). Moreover, the use of N‐phenylrhodanine as the bis‐nucleophile for these reactions also allowed the formation of the corresponding spirocyclic adducts.
Zwitterionic 1,3‐Shift Intermediates in the Interconversions of (Thio)carbamoyl Isocyanates and Carbamoyl Iso(thio)cyanates, R2N–CX–NCO ⇌ R2N–CO–NCX, and in Carbamoylketenes R2N–CO–CH=C=O
Authors: Koch Rainer , Wentrup Curt
Published: October 2013

Cyclic zwitterionic intermediates 3 have been located as reactive intermediates in the thermal 1,3‐shifts of dimethylamino and N‐ piperidinyl groups in carbamoyl isocyanates, carbamoyl isothiocyanates and carbamoylketenes at the B3LYP, M06‐2X and MP2 computational levels of theory. The zwitterion formed in the course of the ketene ⇌ ketene rearrangement shows the highest stabilization (by about 3–5 kcal/mol). The interconversions of carbamoyl isocyanates and isothiocyanates should occur readily at or near room temperature with activation barriers in the range 23–30 kcal/mol, and the ketene ⇌ ketene interconversion is expected well below room temperature with an activation barrier of ca. 10 kcal/mol.
Synthesis of Bicyclic Thiazolidinethiones and Oxazolidinones by Water‐Mediated Multicomponent Reactions (MCR) and Ring‐Closing Metathesis (RCM)
Authors: Stalling Timo , Saak Wolfgang , Martens Jürgen
Published: October 2013

Starting with the development of new multicomponent reactions (MCR) in water, hydroxy thiazolidinethiones and oxazolidinones were prepared efficiently in a one‐pot procedure. The reaction was carried out under mild conditions, consistent with the principles of “green chemistry”. These precursors were converted into different dienes containing terminal C–C double bonds by modifying the hydroxy group in one‐ or two‐step sequences. A final ring‐closing metathesis (RCM) reaction led to various classes of unsaturated bicycles.
Progressive In Situ Reduction of Graphene Oxide Studied by Raman Spectroelectrochemistry: Implications for a Spontaneous Activation of LiFePO4 (Olivine)
Authors: Bousa Milan , Frank Otakar , Kavan Ladislav
Published: October 2013

LiFePO4 olivine (LFP) with few‐layer graphene oxide (FLGO) was tested by repeated electrochemical charging/discharging. Here we report on a novel effect that the LFP/FLGO composite, which is electrochemically almost idle in a freshly made state, spontaneously enhances its activity, when the charge/discharge cycling progresses. Based on electrochemical, IR and Raman studies, we suggest that a gradual in situ reduction of FLGO is responsible for this activation.
A comparison of the Mantel test with a generalised distance covariance test
Authors: Omelka Marek , Hudecová Šárka
Published: October 2013

The Mantel test based on a comparison of two distance matrices belongs to standard statistical tools for assessing an association between two sets of variables. Even though it has been widely used in biological, ecological and related studies, several objective criticisms have appeared recently in the methodological literature. In this paper, we compare the Mantel test with a generalisation of a recently introduced concept of distance covariance (dCov). This generalisation, denoted further as dCovG, keeps the simplicity of the Mantel test, but at the same time, it is more flexible and might be advantageous in applications. The dCovG test includes the RV coefficient as well as dCov as two important special cases. Furthermore, we show the link of dCovG test with PROTEST, a multivariate correlation coefficient, canonical correlations and redundancy analysis. A simulation study compares the power of the dCovG test with the Mantel test and PROTEST. The benefits of the dCovG test are illustrated by a real data analysis as well. Copyright © 2013 John Wiley & Sons, Ltd.
Masonry infill walls in reinforced concrete frames as a source of structural damping
Authors: Ozkaynak H. , Yuksel E. , Yalcin C. , Dindar A. A. , Buyukozturk O.
Published: October 2013

This paper presents the results of an experimental study on the determination of damping characteristics of bare, masonry infilled, and carbon fiber reinforced polymer retrofitted infilled reinforced concrete (RC) frames. It is well known that the masonry infills are used as partitioning walls having significant effect on the damping characteristics of structures as well as contribution to the lateral stiffness and strength. The main portion of the input energy imparted to the structure during earthquakes is dissipated through hysteretic and damping energies. The equivalent damping definition is used to reflect various damping mechanisms globally. In this study, the equivalent damping ratio of carbon fiber reinforced polymer retrofitted infilled RC systems is quantified through a series of 1/3‐scaled, one‐bay, one‐story frames. Quasi‐static tests are carried out on eight specimens with two different loading patterns: one‐cycled and three‐cycled displacement histories and the pseudo‐dynamic tests performed on eight specimens for selected acceleration record scaled at three different PGA levels with two inertia mass conditions. The results of the experimental studies are evaluated in two phases: (i) equivalent damping is determined for experimentally obtained cycles from quasi‐static and pseudo‐dynamic tests; and (ii) an iterative procedure is developed on the basis of the energy balance formulation to determine the equivalent damping ratio. On the basis of the results of these evaluations, equivalent damping of levels of 5%, 12%, and 14% can be used for bare, infilled, and retrofitted infilled RC frames, respectively. Copyright © 2013 John Wiley & Sons, Ltd.
Assessing predictive uncertainty in comparative toxicity potentials of triazoles
Authors: Golsteijn Laura , Iqbal M. Sarfraz , Cassani Stefano , Hendriks Harrie W.M. , Kovarich Simona , Papa Ester , Rorije Emiel , Sahlin Ullrika , Huijbregts Mark A.J.
Published: October 2013

Comparative toxicity potentials (CTPs) quantify the potential ecotoxicological impacts of chemicals per unit of emission. They are the product of a substance's environmental fate, exposure, and hazardous concentration. When empirical data are lacking, substance properties can be predicted. The goal of the present study was to assess the influence of predictive uncertainty in substance property predictions on the CTPs of triazoles. Physicochemical and toxic properties were predicted with quantitative structure–activity relationships (QSARs), and uncertainty in the predictions was quantified with use of the data underlying the QSARs. Degradation half-lives were based on a probability distribution representing experimental half-lives of triazoles. Uncertainty related to the species' sample size that was present in the prediction of the hazardous aquatic concentration was also included. All parameter uncertainties were treated as probability distributions, and propagated by Monte Carlo simulations. The 90% confidence interval of the CTPs typically spanned nearly 4 orders of magnitude. The CTP uncertainty was mainly determined by uncertainty in soil sorption and soil degradation rates, together with the small number of species sampled. In contrast, uncertainty in species-specific toxicity predictions contributed relatively little. The findings imply that the reliability of CTP predictions for the chemicals studied can be improved particularly by including experimental data for soil sorption and soil degradation, and by developing toxicity QSARs for more species. Environ Toxicol Chem 2014;33:293–301. © 2013 SETAC
Norsesquiterpenes as markers of overheating in Indonesian vetiver oil
Authors: Filippi Jean‐Jacques
Published: October 2013

Vetiver oil from Indonesia (Java type) is characterized by the occurrence of a relatively large series of norsesquiterpenes compared with vetiver oils of other origins. Three major norsesquiterpenes have been isolated from this essential oil and their structures have been elucidated by one‐dimensional and two‐dimensional nuclear magnetic resonance and mass spectrometry. Two of them were characterized for the first time, while the third has been reconsidered from the point of view of its relative configuration. Moreover, we clearly demonstrate that these compounds are generated upon thermic degradation of vetiver acids, making them potential markers of overheating during hydrodistillation. Copyright © 2013 John Wiley & Sons, Ltd.
Interaction of allergy history and antibodies to specific varicella‐zoster virus proteins on glioma risk
Authors: Lee Seung‐Tae , Bracci Paige , Zhou Mi , Rice Terri , Wiencke John , Wrensch Margaret , Wiemels Joseph
Published: October 2013

Glioma is the most common cancer of the central nervous system but with few confirmed risk factors. It has been inversely associated with chicken pox, shingles and seroreactivity to varicella virus (VZV), as well as to allergies and allergy‐associated IgE. The role of antibody reactivity against individual VZV antigens has not been assessed. Ten VZV‐related proteins, selected for high immunogenicity or known function, were synthesized and used as targets for antibody measurements in the sera of 143 glioma cases and 131 healthy controls selected from the San Francisco Bay Area Adult Glioma Study. Glioma cases exhibited significantly reduced seroreactivity compared to controls for six antigens, including proteins IE63 [odds ratio (OR) = 0.26, 95% confidence interval (CI): 0.12–0.58, comparing lowest quartile to highest) and the VZV‐unique protein ORF2p (OR = 0.44, 95% CI: 0.21–0.96, lowest quartile to highest). When stratifying the study population into those with low and high self‐reported allergy history, VZV protein seroreactivity was only associated inversely with glioma among individuals self‐reporting more than two allergies. The data provide insight into both allergy and VZV effects on glioma: strong anti‐VZV reactions in highly allergic individuals are associated with reduced occurrence of glioma. This result suggests a role for specificity in the anti‐VZV immunity in brain tumor suppression for both individual VZV antigens and in the fine‐tuning of the immune response by allergy. Anti‐VZV reactions may also be a biomarker of effective CNS immunosurveillance owing to the tropism of the virus.
The impact of risk‐reducing hysterectomy and bilateral salpingo‐oophorectomy on survival in patients with a history of breast cancer—A population‐based data linkage study
Authors: Obermair Andreas , Youlden Danny R. , Baade Peter D. , Janda Monika
Published: October 2013

Prophylactic surgery including hysterectomy and bilateral salpingo‐oophorectomy (BSO) is recommended in breast cancer susceptibility gene (BRCA)‐positive women, whereas in women from the general population, hysterectomy plus BSO may increase the risk of overall mortality. The effect of hysterectomy plus BSO on women previously diagnosed with breast cancer is unknown. We used data from a population‐base data linkage study of all women diagnosed with primary breast cancer in Queensland, Australia between 1997 and 2008 (n = 21,067). We fitted flexible parametric breast cancer‐specific and overall survival models with 95% confidence intervals (also known as Royston–Parmar models) to assess the impact of risk‐reducing surgery (removal of uterus, one or both ovaries). We also stratified analyses by age 20–49 and 50–79 years, respectively. Overall, 1,426 women (7%) underwent risk‐reducing surgery (13% of premenopausal women and 3% of postmenopausal women). No women who had risk‐reducing surgery compared to 171 who did not have risk‐reducing surgery developed a gynaecological cancer. Overall, 3,165 (15%) women died, including 2,195 (10%) from breast cancer. Hysterectomy plus BSO was associated with significantly reduced risk of death overall [adjusted hazard ration (HR), 0.69; 95% confidence interval (CI), 0.53–0.89; p = 0.005]. Risk reduction was greater among premenopausal women, whose risk of death halved (HR, 0.45; 95% CI, 0.25–0.79; p < 0.006). This was largely driven by reduction in breast cancer‐specific mortality (HR, 0.43; 95% CI, 0.24–0.79; p < 0.006). This population‐based study found that risk‐reducing surgery halved the mortality risk for premenopausal breast cancer patients. Replication of our results in independent cohorts and subsequently randomised trials are needed to confirm these findings.
Risk of gastrointestinal events with sorafenib, sunitinib and pazopanib in patients with solid tumors: A systematic review and meta‐analysis of clinical trials
Authors: Santoni Matteo , Conti Alessandro , De Giorgi Ugo , Iacovelli Roberto , Pantano Francesco , Burattini Luciano , Muzzonigro Giovanni , Berardi Rossana , Santini Daniele , Cascinu Stefano
Published: October 2013

Gastrointestinal (GI) events have been described with sorafenib, sunitinib and pazopanib in cancer patients. We performed an up‐to‐date meta‐analysis to determine the incidence and relative risk (RR) in patients with cancer treated with these agents. PubMed databases were searched for articles published till May 2013. Eligible studies were selected according to PRISMA statement. Summary incidence, RR, and 95% CIs were calculated using random‐effects or fixed‐effects models based on the heterogeneity of selected studies. A total of 6,447 patients were available for the meta‐analysis; 2,260 had renal cell carcinoma (RCC) and 4,187, 1,691 non‐small cell lung cancers, 599 hepatocellular cancers, 1,066 breast cancers, 165 neuroendocrine tumors, 304 gastrointestinal stromal tumors and 362 soft tissue sarcomas. Diarrhea was the most common GI event. When stratified by tumor type (RCC vs. non‐RCC), the difference among the incidences of GI events was significant for diarrhea (p < 0.001) and vomiting (p = 0.006), that resulted higher in RCC patients. In RCC patients, sorafenib registered the lower incidence and RR of all grades GI events. The difference was statistically significant for sorafenib versus sunitinib‐related all and high‐grade events (p < 0.001) and for sorafenib versus pazopanib all grades GI events (p < 0.001) and high‐grade anorexia (p < 0.001). Treatment with VEGFR TKIs sorafenib, sunitinib and pazopanib is associated with a significant increase in the risk of GI events in patients with cancer, and frequent clinical monitoring should be emphasized when managing these three and newer VEGFR TKIs.
Increasing participation in cervical cancer screening: Offering a HPV self‐test to long‐term non‐attendees as part of RACOMIP, a Swedish randomized controlled trial
Authors: Broberg Gudrun , Gyrd‐Hansen Dorte , Miao Jonasson Junmei , Ryd Mare‐Liis , Holtenman Mikael , Milsom Ian , Strander Björn
Published: October 2013

RACOMIP is a population‐based, randomized trial of the effectiveness and cost‐effectiveness of different interventions aimed at increasing participation in a well‐run cervical cancer screening program in western Sweden. In this article, we report results from one intervention, offering non‐attendees a high‐risk human papillomavirus (HPV) self‐test. Comparison was made with standard screening invitation routine or standard routine plus a telephone call. Women (8,800), aged 30–62, were randomly selected among women without a registered Pap smear in the two latest screening rounds. These women were randomized 1:5:5 to one of three arms: 800 were offered a high‐risk HPV self‐test, 4,000 were randomized to a telephone call (reported previously) and 4,000 constituted a control group (standard screening invitation routine). Results were based on intention to treat analysis and cost‐effectiveness was calculated as marginal cost per cancer case prevented. The endpoint was the frequency of testing. The total response rate in the self‐testing arm was 24.5%, significantly higher than in the telephone arm (18%, RR 1.36, 95% CI 1.19–1.57) and the control group (10.6%, RR 2.33, 95% CI 2.00–2.71). All nine women who tested positive for high‐risk HPV attended for a cervical smear and colposcopy. From the health‐care sector perspective, the intervention will most likely lead to no additional cost. Offering a self‐test for HPV as an alternative to Pap smears increases participation among long‐term non‐attendees. Offering various screening options can be a successful method for increasing participation in this group.
Overexpression of hypoxia‐inducible factor 1 alpha impacts FoxP3 levels in mycosis fungoides—Cutaneous T‐cell lymphoma: Clinical implications
Authors: Alcántara‐Hernández M. , Torres‐Zárate C. , Pérez‐Montesinos G. , Jurado‐Santacruz F. , Domínguez‐Gómez M.A. , Peniche‐Castellanos A. , Ferat‐Osorio E. , Neri N. , Nambo M.J. , Alvarado‐Cabrero I. , Moreno‐Lafont M. , Huerta‐Yepez S. , Bonifaz L.C.
Published: October 2013

Mycosis fungoides (MF) is the most common variant of primary cutaneous T‐cell lymphoma, and decreased forkhead box P3 (FoxP3) expression has been reported in MF late stages. Hypoxia‐inducible factor 1 alpha (HIF‐1α) may regulate FoxP3 expression; however, it is unknown whether HIF‐1α is expressed in the CD4+ T cells of MF patients and how it could affect the expression of FoxP3. Therefore, we evaluated the expression of HIF‐1α and FoxP3 in CD4+ T cells obtained from the skin lesions of MF patients. We found increased cell proliferation and an increase in CD4+ T cells with an aberrant phenotype among early stage MF patients. HIF‐1α was overexpressed in these CD4+ T cells. In addition, we found a decrease in the percentage of FoxP3+ cells both in the skin of MF patients, when compared with control skin samples, and with disease progression. In addition, a negative correlation was established between HIF‐1α and FoxP3 expression. Skin HIF‐1α expression in MF patients correlated with the extent of the affected area and increased with the disease progression. Finally, we showed that ex vivo inhibition of HIF‐1α degradation increases the percentage of FoxP3+ T cells in skin lesions. Our results suggest that overexpression of HIF‐1α affects the levels of FoxP3 in MF patients, which could have relevant implications in terms of disease outcome.
Religious Coping, Body Dissatisfaction, and Bulimic Symptomatology
Authors: Buser Juleen K. , Bernard Janine M.
Published: October 2013

The authors explored the association among body dissatisfaction, religious coping, and bulimic symptomatology. The results suggest that spiritual discontent religious coping was detrimental for the college female participants (N= 398) when considered in relationship to bulimic symptomatology. Implications of the findings for theory refinement, future research, and clinical practice are discussed.
Moral Orientation as a Component of Ethical Decision Making
Authors: Levitt Dana Heller , Aligo Ashley A.
Published: October 2013

Morals are foundational to professional and ethical counseling practice. Moral orientation may play an integral role in ethical decision making. The authors review the literature regarding moral orientation and discuss the connection to ethical decision making. Implications for counselor preparation and practice are addressed.
Using a Values‐Based Taxonomy in Counselor Education
Authors: Dollarhide Colette T.
Published: October 2013

Values such as respect for the client's privacy and respect for diversity are integral to training new counselors. This requires learning in the affective domain, defined as the internalization of values (Krathwohl, Bloom, & Masia, 1964). The affective taxonomy of Krathwohl et al. (1964) is presented as a means of teaching values and measuring the internalization of values. An example from a multicultural counseling course is offered as a template for implications in counselor education.
Promoting Cognitive, Emotional, and Spiritual Client Change: The Infusion of Solution‐Focused Counseling and Ritual Therapy
Authors: Crockett Stephanie A. , Prosek Elizabeth A.
Published: October 2013

Solution‐focused brief counseling offers clients an opportunity to find solutions to problems and evoke cognitive change. This treatment modality is criticized for negating the emotional and spiritual aspects of client change. The authors propose that the inclusion of rituals in solution‐focused brief counseling can enhance the counseling experience for clients by encouraging meaningful cognitive, emotional, and spiritual change. A new model, Brief Solution Rituals, was developed to incorporate the use of rituals into solution‐focused counseling. The 6‐phase model, example clinical scenarios, and a case study are presented in this article. The strengths and potential limitations of the new model are discussed.
Interval sampling methods and measurement error: A computer simulation
Authors: Wirth Oliver , Slaven James , Taylor Matthew A.
Published: October 2013

A simulation study was conducted to provide a more thorough account of measurement error associated with interval sampling methods. A computer program simulated the application of momentary time sampling, partial‐interval recording, and whole‐interval recording methods on target events randomly distributed across an observation period. The simulation yielded measures of error for multiple combinations of observation period, interval duration, event duration, and cumulative event duration. The simulations were conducted up to 100 times to yield measures of error variability. Although the present simulation confirmed some previously reported characteristics of interval sampling methods, it also revealed many new findings that pertain to each method's inherent strengths and weaknesses. The analysis and resulting error tables can help guide the selection of the most appropriate sampling method for observation‐based behavioral assessments.
An evaluation of factors that influence children's instruction following
Authors: Sy Jolene R. , Donaldson Jeanne M. , Vollmer Timothy R. , Pizarro Eliana
Published: October 2013

Behavior that resembles instruction following might sometimes be under stimulus control of extraneous variables. We evaluated the effects of some of these variables (i.e., presence of relevant objects, associations between instructions and object sets) with 3 children with intellectual disabilities. In Experiment 1, we assessed whether subjects were more likely to follow instructions that required object manipulation and whether subjects were more likely to follow these instructions when only relevant objects were present. All subjects were more likely to follow instructions that required object manipulation when only relevant objects were present. In Experiment 2, we evaluated whether instruction following would be less likely if the same object set was associated with multiple instructions, and found this to be the case for 2 of 2 subjects. Findings highlight the need to train instruction following under different conditions to ensure that responding comes under stimulus control of the instructions.
Novel Genetic Models of Osteoporosis by Overexpression of Human RANKL in Transgenic Mice
Authors: Rinotas Vagelis , Niti Alexandra , Dacquin Romain , Bonnet Nicolas , Stolina Marina , Han Chun-Ya , Kostenuik Paul , Jurdic Pierre , Ferrari Serge , Douni Eleni
Published: October 2013

Receptor activator of NF-κB ligand (RANKL) plays a key role in osteoclast-induced bone resorption across a range of degenerative bone diseases, and its specific inhibition has been recently approved as a treatment for women with postmenopausal osteoporosis at high or increased risk of fracture in the United States and globally. In the present study, we generated transgenic mice (TghuRANKL) carrying the human RANKL (huRANKL) genomic region and achieved a physiologically relevant pattern of RANKL overexpression in order to establish novel genetic models for assessing skeletal and extraskeletal pathologies associated with excessive RANKL and for testing clinical therapeutic candidates that inhibit human RANKL. TghuRANKL mice of both sexes developed early-onset bone loss, and the levels of huRANKL expression were correlated with bone resorption and disease severity. Low copy Tg5516 mice expressing huRANKL at low levels displayed a mild osteoporotic phenotype as shown by trabecular bone loss and reduced biomechanical properties. Notably, overexpression of huRANKL, in the medium copy Tg5519 line, resulted in severe early-onset osteoporosis characterized by lack of trabecular bone, destruction of the growth plate, increased osteoclastogenesis, bone marrow adiposity, increased bone remodeling, and severe cortical bone porosity accompanied by decreased bone strength. An even more severe skeletal phenotype developed in the high copy Tg5520 founder with extensive soft tissue calcification. Model validation was further established by evidence that denosumab, an antibody that inhibits human but not murine RANKL, fully corrected the hyper-resorptive and osteoporotic phenotypes of Tg5519 mice. Furthermore, overexpression of huRANKL rescued osteopetrotic phenotypes of RANKL-defective mice. These novel huRANKL transgenic models of osteoporosis represent an important advance for understanding the pathogenesis and treatment of high-turnover bone diseases and other disease states caused by excessive RANKL. © 2014 American Society for Bone and Mineral Research.