bluuebunny/crossref_metadata_2025 huggingface dataset:
Oxo–Group‐14‐Element Bond Formation in Binuclear Uranium(V) Pacman Complexes
Authors: Jones Guy M. , Arnold Polly L. , Love Jason B.
Published: June 2013

Simple and versatile routes to the functionalization of uranyl‐derived UV–oxo groups are presented. The oxo‐lithiated, binuclear uranium(V)–oxo complexes [{(py)3LiOUO}2(L)] and [{(py)3LiOUO}(OUOSiMe3)(L)] were prepared by the direct combination of the uranyl(VI) silylamide “ate” complex [Li(py)2][(OUO)(N”)3] (N”=N(SiMe3)2) with the polypyrrolic macrocycle H4L or the mononuclear uranyl (VI) Pacman complex [UO2(py)(H2L)], respectively. These oxo‐metalated complexes display distinct UO single and multiple bonding patterns and an axial/equatorial arrangement of oxo ligands. Their ready availability allows the direct functionalization of the uranyl oxo group leading to the binuclear uranium(V) oxo–stannylated complexes [{(R3Sn)OUO}2(L)] (R=nBu, Ph), which represent rare examples of mixed uranium/tin complexes. Also, uranium–oxo‐group exchange occurred in reactions with [TiCl(OiPr)3] to form U‐OC bonds [{(py)3LiOUO}(OUOiPr)(L)] and [(iPrOUO)2(L)]. Overall, these represent the first family of uranium(V) complexes that are oxo‐functionalised by Group 14 elements.
ChemInform Abstract: Investigation of Fe Incorporation in LnCr2Al20 (Ln: La, Gd, Yb) with 57Fe Moessbauer and Single Crystal X‐Ray Diffraction.
Authors: Treadwell LaRico J. , McAlpin Jacob D. , Schmitt Devin C. , Kangas Michael J. , Sougrati Moulay T. , Haldolaarachchige Neel , Young David P. , Jumas Jean‐Claude , Chan Julia Y.
Published: June 2013

LnCr2Al20‐xFex (Ln: La, Gd, Yb; x = 0.1, 0.2, 0.3) are prepared by flux reaction of the elements (alumina crucible in an evacuated silica tube, 1000 °C, 1 d).
ChemInform Abstract: Single‐Crystal Structure Determination and Spectroscopic Characterization of KSr4(BO3)3.
Authors: Sohr Gerhard , Clara Doris , Huppertz Hubert
Published: June 2013

Single crystals of the title compound are prepared from a stoichiometric mixture of K2CO3, SrCO3, and H3BO3 (5% Au/95% Pt crucible, 900 °C, 2 d) followed by high‐pressure treatment in a Walker‐type multi‐anvil apparatus (3 GPa, 1300 °C, 10 min).
ChemInform Abstract: Asymmetric Rearrangement of Racemic Epoxides Catalyzed by Chiral Broensted Acids.
Authors: Zhuang Minyang , Du Haifeng
Published: June 2013

The chiral Broensted acid catalyzed asymmetric 1,2‐rearrangement of racemic epoxides (I) and (III) via a hydrogen‐shift process is described.
ChemInform Abstract: Direct Arylation of Phenanthroline Derivatives via Oxidative C—H/C—H Cross‐Coupling: Synthesis and Discovery of Excellent Ligands.
Authors: Li Bijin , Qin Xurong , You Jingsong , Cong Xuefeng , Lan Jingbo
Published: June 2013

A protocol for the synthesis of aryl functionalized phenanthrolines (I) is developed.
ChemInform Abstract: Nickel—Butadiene Catalytic System for the Cross‐Coupling of Bromoalkanoic Acids with Alkyl Grignard Reagents: A Practical and Versatile Method for Preparing Fatty Acids.
Authors: Iwasaki Takanori , Higashikawa Kiyokazu , Reddy Vutukuri P. , Ho Willbe W. S. , Fujimoto Yukari , Fukase Koichi , Terao Jun , Kuniyasu Hitoshi , Kambe Nobuaki
Published: June 2013

Grignard reagents with long alkyl chains are difficult to handle requiring the reverse‐addition strategy of the Grignard reagents, generated in situ, to the tethered bromocarboxylic acids [viz.
ChemInform Abstract: Direct Asymmetric Aldol Reaction of Cyclohexanone with Aldehydes Catalyzed by Chiral trans‐Cyclohexanediamine L‐Tartrate Salt.
Authors: Wu Shengying , Wang Limin , Tang Jun , Mao Dan , Liu Xin
Published: June 2013

Optimum reaction conditions are examined.
ChemInform Abstract: Direct ortho‐Arylation of ortho‐Substituted Benzoic Acids: Overriding Pd‐Catalyzed Protodecarboxylation.
Authors: Arroniz Carlos , Ironmonger Alan , Rassias Gerry , Larrosa Igor
Published: June 2013

The presence of potassium carbonate prevents decarboxylation in Pd‐catalyzed ortho‐arylations of sterically hindered benzoic acids, making 2‐aryl‐6‐substituted benzoic acids easily accessible.
ChemInform Abstract: Catalyst‐Free, Direct, High Regio‐ and Chemoselective Conversion of Epoxides to Vicinal Haloesters under Mild, Neutral and Solvent‐Free Conditions.
Authors: Aghapour Ghasem , Hatefipour Razieh
Published: June 2013

Title reaction providing haloesters [(III) and (VIII)] is proved to be suitable for preparation of vic‐haloesters even in the presence of many functional groups with high regio‐ and chemoselectivity under mild and neutral reaction conditions.
ChemInform Abstract: Molecular Iodine in Aqueous Ammonia: Oxidative Fragmentation of Oxiranes to Nitriles.
Authors: Jadhav Ravindra R. , Akamanchi Krishnacharya G.
Published: June 2013

A new, more convenient, and cost‐effective method for the oxidative C—C fragmentation of oxiranes to nitriles using nonexplosive molecular iodine is developed.
ChemInform Abstract: Pd‐Catalyzed Thiocarbonylation with Stoichiometric Carbon Monoxide: Scope and Applications.
Authors: Burhardt Mia N. , Taaning Rolf H. , Skrydstrup Troels
Published: June 2013

The reported method features low catalyst loading (1 mol%), applicability to both electron‐rich and ‐deficient iodoarenes as well as aryl and alkyl thiols.
ChemInform Abstract: Rhodium(III)‐Catalyzed Annulation of Azomethine Ylides with Alkynes via C—H Activation.
Authors: Chen Yuye , Wang Fen , Zhen Wencui , Li Xingwei
Published: June 2013

A wide range of different substituted substrates can be used for the title reaction.
ChemInform Abstract: Fused Dihydrofurans from the One‐Pot, Three‐Component Reaction of 1,3‐Cyclohexanedione, Iodobenzene Diacetate and Alkenes.
Authors: Kalpogiannaki Dimitra , Martini Catherine‐Irene , Nikopoulou Aggeliki , Nyxas John A. , Pantazi Vassiliki , Hadjiarapoglou Lazaros P.
Published: June 2013

The presented cycloaddition reaction exhibits wide generality and proceeds with high regioselectivity.
ChemInform Abstract: Synthesis of 2‐Aryl‐3‐fluoro‐5‐silylthiophenes via a Cascade Reactive Sequence.
Authors: Hirotaki Kensuke , Hanamoto Takeshi
Published: June 2013

The first successful SN2′‐type reaction of 2‐bromo‐3,3,3‐trifluoropropene (II) with various thiols is reported.
ChemInform Abstract: Iridium‐Catalyzed Asymmetric Hydrogenation of α‐Alkylidene Succinimides.
Authors: Liu Yuanyuan , Zhang Wanbin
Published: June 2013

The synthetic application of the presented method is demonstrated by the synthesis of 3‐benzyl pyrrolidines with high enantioselectivities [e.g. (III)].
ChemInform Abstract: C2‐Symmetric Cyclic Selenium‐Catalyzed Enantioselective Bromoaminocyclization.
Authors: Chen Feng , Tan Chong Kiat , Yeung Ying‐Yeung
Published: June 2013

This is the first Lewis basic selenium‐catalyzed asymmetric bromocyclization of trisubstituted olefinic amides.
ChemInform Abstract: Synthesis of 3,5‐Disubstituted Pyrazoles via Cope‐Type Hydroamination of 1,3‐Dialkynes.
Authors: Wang Liangguang , Yu Xiaoqiang , Feng Xiujuan , Bao Ming
Published: June 2013

The facile, mild, and efficient method allows the access to a wide range of target compounds.
ChemInform Abstract: Synthesis, Crystal Structure and Antibacterial Activity of New Highly Functionalized Ionic Compounds Based on the Imidazole Nucleus.
Authors: Bahnous Mebarek , Bouraiou Abdelmalek , Chelghoum Meryem , Bouacida Sofiane , Roisnel Thierry , Smati Farida , Bentchouala Chafia , Gros Philippe C. , Belfaitah Ali
Published: June 2013

A variety of new highly functionalized imidazolium salts (III) are synthesized and evaluated for their antibacterial activity.
ChemInform Abstract: Synthesis, Chemical Properties, and Biological Evaluations of Some Twin‐Drug Type C2‐Symmetrical Derivatives.
Authors: Fujisaki Fumiko , Usami Haruka , Nakashima Saya , Nishida Sho , Fujioka Toshihiro , Kashige Nobuhiro , Miake Fumio , Sumoto Kunihiro
Published: June 2013

The synthesis of five twin‐drug type and two triplet‐drug type derivatives is described.
ChemInform Abstract: A Cationic High‐Valent Cp*CoIII Complex for the Catalytic Generation of Nucleophilic Organometallic Species: Directed C—H Bond Activation.
Authors: Yoshino Tatsuhiko , Ikemoto Hideya , Matsunaga Shigeki , Kanai Motomu
Published: June 2013

The air‐ and moisture‐stable title catalyst is readily synthesized as solid in 24% overall yield from CoCl2 in gram quantities without the use of any expensive reagents.
ChemInform Abstract: A Concise One‐Pot Synthesis of Trifluoromethyl‐Containing 2,6‐Disubstituted 5,6,7,8‐Tetrahydroquinolines and 5,6,7,8‐Tetrahydronaphthyridines.
Authors: Johnson Russell J. , O'Mahony Donogh J. R. , Edwards William T. , Duncton Matthew A. J.
Published: June 2013

Title compounds (III), (V), (VII) and (IX) are prepared via a three‐step/one‐pot pyridine‐annulation strategy.
ChemInform Abstract: One‐Pot Synthesis of 1H‐Indazolo[2,1‐b]phthalazinetrione Catalyzed by Magnetic Room Temperature Dicationic Ionic Liquid under Solvent‐Free Conditions.
Authors: Godajdar Bijan Mombani , Kiasat Ali Reza , Hashemi Mohammad Mahmoodi
Published: June 2013

A simple, green, efficient, and novel synthesis of the title compounds (IV) via a multi‐component reaction under solvent free conditions is developed.
ChemInform Abstract: Discovery of Novel Inhibitors Targeting the Mycobacterium tuberculosis O‐Acetylserine Sulfhydrylase (CysK1) Using Virtual High‐Throughput Screening.
Authors: Kumar Variam Ullas Jean , Poyraz Oemer , Saxena Shalini , Schnell Robert , Yogeeswari Perumal , Schneider Gunter , Sriram Dharmarajan
Published: June 2013

A simple and highly efficient microwave‐assisted synthesis of a library of pyrimidothiazolopyrimidinedione (VII) and related thione derivatives (IX) as potential antitubercular agents is given.
ChemInform Abstract: Synthesis of New Derivatives of Pyrimido[5,4‐e][1,2,4]triazolo[3,4‐b][1,3,4]thiadiazine and Their Enzyme Inhibitory Activity Assessment on Soybean 15‐Lipoxygenase.
Authors: Bakavoli Mehdi , Seyedi Seyed Mohammad , Shiri Ali , Saberi Sattar , Gholami Mahmoud , Sadeghian Hamid
Published: June 2013

New compounds (V) and (VI) show very low inhibitory activities towards soybean 15‐lipoxygenase.
ChemInform Abstract: Copper‐Catalyzed Three‐Component Carboboration of Alkynes and Alkenes.
Authors: Yoshida Hiroto , Kageyuki Ikuo , Takaki Ken
Published: June 2013

Multisubstituted borylalkenes are generated in a stereoselective manner.
ChemInform Abstract: Synthesis of Silyl‐Substituted Anthracene Derivatives via Birch‐Type Silylation.
Authors: Kanno Ken‐ichiro , Maemura Yumika , Kobayashi Naotaka , Kyushin Soichiro
Published: June 2013

The Birch‐type silylation of anthracene affords hexasilylated hexahydroanthracene (III) as a single stereoisomer.
ChemInform Abstract: Transition‐Metal‐Free Synthesis of Unsymmetrical Diaryl Chalcogenides from Arenes and Diaryl Dichalcogenides.
Authors: Prasad Ch. Durga , Balkrishna Shah Jaimin , Kumar Amit , Bhakuni Bhagat Singh , Shrimali Kaustubh , Biswas Soumava , Kumar Sangit
Published: June 2013

In some cases the reaction with diphenyldisulfide affords dithiolated products [cf.
ChemInform Abstract: A Concise Formal Synthesis of (‐)‐Hamigeran B (XIV).
Authors: Jiang Biao , Li Ming‐ming , Xing Ping , Huang Zuo‐gang
Published: June 2013

The sequence starts with the synthesis of cyclopentenone (IV) by intermolecular Pauson—Khand reaction of (I) with an excess of Me2S as promoter.
ChemInform Abstract: Total Synthesis of Cyclic Heptapeptide Rolloamide B (I).
Authors: El Khatib Mirna , Elagawany Mohamed , Caliskan Eray , Davis Emily Faith , Faidallah Hassan M. , El‐feky Said A. , Katritzky Alan R.
Published: June 2013

The work features solution phase benzotriazole‐mediated peptide synthesis ligating native amino acids.
ChemInform Abstract: Novel Antitumor Agent, Trilacunary Keggin‐Type Tungstobismuthate, Inhibits Proliferation and Induces Apoptosis in Human Gastric Cancer SGC‐7901 Cells.
Authors: Wang Lu , Zhou Bai‐Bin , Yu Kai , Su Zhan‐Hua , Gao Song , Chu Li‐Li , Liu Jia‐Ren , Yang Guo‐Yu
Published: June 2013

Yellow (Himi)2 [(W(OH)2)2(Mn (H2O)3)2(Na3 (H2O)14)(BiW9O33)2] ·16H2O (I) (imi: imidazole) is synthesized by reaction of Na2WO4·2H2O, Bi(NO3)3·5H2O, imi, and MnCl2·6H2O (4.7:0.5:1:0.7 molar ratio) in water (stirring at 80 °C, 2 h; addn.
ChemInform Abstract: Silica Monoliths with Hierarchical Porosity Obtained from Porous Glasses
Authors: Inayat Alexandra , Reinhardt Bjoern , Uhlig Hans , Einicke Wolf‐Dietrich , Enke Dirk
Published: June 2013

Review: synthetic strategies for the introduction of hierarchy into “classical” porous glass monoliths; 42 refs.
ChemInform Abstract: Synthesis of Mesoporous Silica Nanoparticles
Authors: Wu Si‐Han , Mou Chung‐Yuan , Lin Hong‐Ping
Published: June 2013

Review: 98 refs.
ChemInform Abstract: Anion Binding in Water at Lanthanide Centers: From Structure and Selectivity to Signalling and Sensing
Authors: Butler Stephen J. , Parker David
Published: June 2013

Review: 60 refs.
ChemInform Abstract: Metals, Macrocycles and Molecular Assemblies — Macrocyclic Complexes in Metallo‐Supramolecular Chemistry
Authors: Lindoy Leonard F. , Park Ki‐Min , Lee Shim Sung
Published: June 2013

Review: 60 refs.
ChemInform Abstract: Copper in Dendrimer Synthesis and Applications of Copper—Dendrimer Systems in Catalysis: A Concise Overview
Authors: El Brahmi Nabil , El Kazzouli Said , Mignani Serge , Bousmina Mosto , Majoral Jean Pierre
Published: June 2013

Review: 119 refs.
ChemInform Abstract: A New Tool in the Toolbox: Electron‐Withdrawing Group Activated Ruthenium Catalysts for Olefin Metathesis
Authors: Olszewski Tomasz K. , Bieniek Michal , Skowerski Krzysztof , Grela Karol
Published: June 2013

Review: about 100 refs.
ChemInform Abstract: Functional Behavior from Controlled Self‐Assembly: Challenges and Prospects
Authors: Ward Michael D. , Raithby Paul R.
Published: June 2013

Review: 70 refs.
ChemInform Abstract: Construction of Two‐Dimensional (2D) H‐Bonded Supramolecular Nanostructures Studied by STM
Authors: Xu Jing , Zeng Qing‐Dao
Published: June 2013

Review: 42 refs.
ChemInform Abstract: Electrolysis of Ionic Liquids: A Possible Keystone for the Achievement of Green Solvent—Catalyst Systems
Authors: Feroci Marta , Chiarotto Isabella , Inesi Achille
Published: June 2013

Review: 187 refs.
ChemInform Abstract: Glycosylated Nanoscale Surfaces: Preparation and Applications in Medicine and Molecular Biology.
Authors: Kennedy David C. , Gruenstein Dan , Lai Chian‐Hui , Seeberger Peter H.
Published: June 2013

Review: 38 refs.
ChemInform Abstract: Topology‐Directed Design of Porous Organic Frameworks and Their Advanced Applications
Authors: Zou Xiaoqin , Ren Hao , Zhu Guangshan
Published: June 2013

Review: 109 refs.
Effects of crosslinking in demulsifiers on their performance
Authors: Kailey Ishpinder , Blackwell Catherine , Behles Jacqueline
Published: June 2013

Chemical demulsification is the most widely used method for breaking water‐in‐diluted bitumen emulsions in oil sands processing. In this work, the properties and performance of six ethylene oxide (EO)–propylene oxide (PO) demulsifiers from three families were investigated. The demulsifiers were characterised by their relative solubility number (RSN) and number of EO–PO branches. The results showed that the performance of the demulsifiers is correlated to the starting base compound, number of EO–PO branches, RSN, oil/water interfacial tension (IFT), increase of molecular weight (MW) by incorporation of crosslinks in EO–PO branches and yield stress of underflow. An increase in MW by the incorporation of crosslinks in EO–PO block copolymers decreased the RSN value while improved the dehydration efficiency. Dynamic IFT measurements revealed that the higher adsorption of EO–PO block copolymers at the oil/water interface on crosslinking, which resulted in higher dehydration efficiencies. The yield stress of the underflow increased on crosslinking the EO–PO block copolymers due to the release of more water and solids to the underflow, which increased the number of aggregates present in the underflow, resulting in increased immobility and constriction and higher yield stress.
Lost productivity and burden of illness in cancer survivors with and without other chronic conditions
Authors: Dowling Emily C. , Chawla Neetu , Forsythe Laura P. , de Moor Janet , McNeel Timothy , Rozjabek Heather M. , Ekwueme Donatus U. , Yabroff K. Robin
Published: June 2013

BACKGROUND

Cancer survivors may experience long‐term and late effects from treatment that adversely affect health and limit functioning. Few studies examine lost productivity and disease burden in cancer survivors compared with individuals who have other chronic conditions or by cancer type.

METHODS

We identified 4960 cancer survivors and 64,431 other individuals from the 2008‐2010 Medical Expenditure Panel Survey and compared multiple measures of disease burden, including health status and lost productivity, between conditions and by cancer site for cancer survivors. All analyses controlled for the effects of age, sex, race/ethnicity, and number of comorbid conditions.

RESULTS

Overall, in adjusted analyses in multiple models, cancer survivors with another chronic disease (heart disease or diabetes) experienced higher levels of burden compared with individuals with a history of cancer only, chronic disease only, and neither cancer, heart disease, nor diabetes across multiple measures (P < .05). Among cancer survivors, individuals with short survival cancers and multiple cancers consistently had the highest levels of burden across multiple measures (P < .0001).

CONCLUSIONS

Cancer survivors who have another chronic disease experience more limitations and higher levels of burden across multiple measures. Limitations are particularly severe in cancer survivors with short survival cancer and multiple cancers. Cancer 2013;119:3393–401. © 2013 American Cancer Society.
Efferent connections of the parvalbumin‐positive (PV1) nucleus in the lateral hypothalamus of rodents
Authors: Celio Marco R. , Babalian Alexandre , Ha Quan Hue , Eichenberger Simone , Clément Laurence , Marti Christiane , Saper Clifford B.
Published: June 2013

A solitary cluster of parvalbumin‐positive neurons – the PV1 nucleus – has been observed in the lateral hypothalamus of rodents. In the present study, we mapped the efferent connections of the PV1 nucleus using nonspecific antero‐ and retrograde tracers in rats, and chemoselective, Cre‐dependent viral constructs in parvalbumin‐Cre mice. In both species, the PV1 nucleus was found to project mainly to the periaqueductal grey matter (PAG), predominantly ipsilaterally. Indirectly in rats and directly in mice, a discrete, longitudinally oriented cylindrical column of terminal fields (PV1‐CTF) was identified ventrolateral to the aqueduct on the edge of the PAG. The PV1‐CTF is particularly dense in the rostral portion, which is located in the supraoculomotor nucleus (Su3). It is spatially interrupted over a short stretch at the level of the trochlear nucleus and abuts caudally on a second parvalbumin‐positive (PV2) nucleus. The rostral and the caudal portions of the PV1‐CTF consist of axonal endings, which stem from neurons scattered throughout the PV1 nucleus. Topographically, the longitudinal orientation of the PV1‐CTF accords with that of the likewise longitudinally oriented functional modules of the PAG, but overlaps none of them. Minor terminal fields were identified in a crescentic column of the lateral PAG, as well as in the Edinger–Westphal, the lateral habenular, and the laterodorsal tegmental nuclei. So far, no obvious functions have been attributed to this small, circumscribed column ventrolateral to the aqueduct, the prime target of the PV1 nucleus.

J. Comp. Neurol. 521:3133–3153, 2013. © 2013 Wiley Periodicals, Inc.
Neural systems language: A formal modeling language for the systematic description, unambiguous communication, and automated digital curation of neural connectivity
Authors: Brown Ramsay A. , Swanson Larry W.
Published: June 2013

Systematic description and the unambiguous communication of findings and models remain among the unresolved fundamental challenges in systems neuroscience. No common descriptive frameworks exist to describe systematically the connective architecture of the nervous system, even at the grossest level of observation. Furthermore, the accelerating volume of novel data generated on neural connectivity outpaces the rate at which this data is curated into neuroinformatics databases to synthesize digitally systems‐level insights from disjointed reports and observations. To help address these challenges, we propose the Neural Systems Language (NSyL). NSyL is a modeling language to be used by investigators to encode and communicate systematically reports of neural connectivity from neuroanatomy and brain imaging. NSyL engenders systematic description and communication of connectivity irrespective of the animal taxon described, experimental or observational technique implemented, or nomenclature referenced. As a language, NSyL is internally consistent, concise, and comprehensible to both humans and computers. NSyL is a promising development for systematizing the representation of neural architecture, effectively managing the increasing volume of data on neural connectivity and streamlining systems neuroscience research. Here we present similar precedent systems, how NSyL extends existing frameworks, and the reasoning behind NSyL's development. We explore NSyL's potential for balancing robustness and consistency in representation by encoding previously reported assertions of connectivity from the literature as examples. Finally, we propose and discuss the implications of a framework for how NSyL will be digitally implemented in the future to streamline curation of experimental results and bridge the gaps among anatomists, imagers, and neuroinformatics databases. J. Comp. Neurol. 521: 2889–2906, 2013. © 2013 Wiley Periodicals, Inc.
Enabling efficient and secure data sharing in cloud computing
Authors: Li Jingwei , Li Jin , Liu Zheli , Jia Chunfu
Published: June 2013

With the rapid development of cloud computing, more and more data are being centralized into remote cloud server for sharing, which raises a challenge on how to keep them both private and accessible. Although searchable encryption provides an efficient solution to support keyword‐based search directly on encrypted data, considering its application in file sharing, existing work depends on key sharing among authorized users, which inevitably causes the risks of key exposure and abuse. In this paper, aiming at enabling efficient and secure data sharing in cloud computing, we provide a generic construction for this purpose. The proposed construction is full‐featured: (i) It enables authorized users to perform keyword‐based search directly on encrypted data without sharing the unique secret key; and (ii) it provides two‐layered access control to limit unauthorized user's access to the shared data. On the basis of the proposed generic construction, we utilize the existing techniques on identity‐based broadcast encryption and public key searchable encryption to instantiate a concrete construction. Copyright © 2013 John Wiley & Sons, Ltd.
A New Multiresponsive Drug Delivery System using Smart Nanogels
Authors: Demirel Gökçen Birlik , von Klitzing Regine
Published: June 2013

This paper addresses the synthesis and characterization of a novel temperature‐ and pH‐responsive nanogel system based on poly(vinylcaprolactam‐co‐2‐dimethylaminoethyl methacrylate) [P(VCL‐co‐DMAEMA)] by using a surfactant‐free emulsion polymerization procedure for the multiresponsive drug delivery of hydrophobic drugs. The effects of solvent, monomer, pH, and temperature were studied to tailor the average particle hydrodynamic diameters and the polydispersity index of the final particles. According to dynamic light‐scattering measurements, the obtained nanogels show a narrow particle‐size distribution and their hydrodynamic diameters can be varied from 81 to 368 nm. The nanogels display a re‐entrant phase‐transition state, and the equilibrium volume swelling ratio of the nanogels decreases drastically down to 47 °C and then increases up to 65 °C. In addition, the nanogels show pH‐dependent behavior. They exhibit a maximum size at pH 5.0. Rhodamine B (RhB) was chosen as a model compound for drug loading and release studies from P(VCL‐co‐DMAEMA) on the basis of particles in different phosphate buffer solutions at different temperatures. The temperature/pH‐dependent cumulative release and ultrasound‐enhanced pulsatile release properties were investigated for RhB‐loaded nanogels for long‐term and one‐shot delivery. The nanogels display efficient delivery for both long‐term and one‐shot delivery systems. We provide here a proof of concept for the novel use of multiresponsive nanogels having an overall size below 200 nm as a cargo system for hydrophobic drugs and for controlled release mediated by temperature/pH and ultrasound.
Conformational Propensities of Intrinsically Disordered Proteins from NMR Chemical Shifts
Authors: Kragelj Jaka , Ozenne Valéry , Blackledge Martin , Jensen Malene Ringkjøbing
Published: June 2013

The realization that a protein can be fully functional even in the absence of a stable three‐dimensional structure has motivated a large number of studies describing the conformational behaviour of these proteins at atomic resolution. Here, we review recent advances in the determination of local structural propensities of intrinsically disordered proteins (IDPs) from experimental NMR chemical shifts. A mapping of the local structure in IDPs is of paramount importance in order to understand the molecular details of complex formation, in particular, for IDPs that fold upon binding or undergo structural transitions to pathological forms of the same protein. We discuss experimental strategies for the spectral assignment of IDPs, chemical shift prediction algorithms and the generation of representative structural ensembles of IDPs on the basis of chemical shifts. Additionally, we highlight the inherent degeneracies associated with the determination of IDP sub‐state populations from NMR chemical shifts alone.
Microdialysis Sampling Coupled to Microchip Electrophoresis with Integrated Amperometric Detection on an All‐Glass Substrate
Authors: Scott David E. , Grigsby Ryan J. , Lunte Susan M.
Published: June 2013

The development of an all‐glass separation‐based sensor using microdialysis coupled to microchip electrophoresis with amperometric detection is described. The system includes a flow‐gated interface to inject discrete sample plugs from the microdialysis perfusate into the microchip electrophoresis system. Electrochemical detection was accomplished with a platinum electrode in an in‐channel configuration using a wireless electrically isolated potentiostat. To facilitate bonding around the in‐channel electrode, a fabrication process was employed that produced a working and a reference electrode flush with the glass surface. Both normal and reversed polarity separations were performed with this sensor. The system was evaluated in vitro for the continuous monitoring of the production of hydrogen peroxide from the reaction of glucose oxidase with glucose. Microdialysis experiments were performed using a BASi loop probe with an overall lag time of approximately five minutes and a rise time of less than 60 seconds.
Three‐Dimensional Imaging of Surface Chemical Processes in Catalysis Using High‐Resolution Positron Emission Tomography
Authors: Sarkadi‐Pribóczki Eva , Valastyan Ivan , Molnar Jozsef
Published: June 2013

The positron emission tomography (PET) technique is a well‐known method in nuclear medicine for molecular imaging of biochemical functions in the human body, but it can also be applied to molecular imaging of the chemical processes on the surfaces of heterogeneous catalysts. Dynamic studies of adsorption, desorption, and realignment of 11C positron‐emitter‐labeled compounds can be performed. In the work reported herein, a small PET scanner with approximately 1.3 mm spatial resolution, originally dedicated for small‐animal studies, is applied to image the location and quantitative distribution of [11C]methanol in a catalyst bed of approximately 8 cm3 volume in three dimensions. The PET imaging technique in combination with radio‐gas chromatographic analysis was also used to study different strengths of chemical bonds during catalytic processes on fresh and used Linde A‐type zeolites as catalysts. The PET technique has been highly developed in the last few years with higher resolution and sensitivity and improved image reconstruction algorithms. The commercial human and small‐animal PET scanners have great potential for imaging of well‐functioning, poorly functioning, or partially covered catalyst surfaces in academic and industrial research for the development of catalysts. High‐resolution PET scanning is a great catalysis imaging technique because of both axial and radial imaging of the catalyst bed; therefore, the distribution of radioactive compounds is analyzable in the total catalyst volume.
Solidification behavior and microstructural evolution of the Cr‐Nb eutectic alloy
Authors: Li K. W. , Li S. M. , Zhong H. , Xue Y. L. , Fu H. Z.
Published: June 2013

A series of microstructures including fully coupled eutectic, both α‐Cr and β‐Cr2Nb primary dendrites embedded in eutectic and only β‐Cr2Nb primary dendrites plus eutectic were observed in the arc‐melted Cr‐Cr2Nb eutectic alloy. By employing EPMA analysis performed at the eutectic regions, the eutectic composition of the Cr‐Cr2Nb system was indicated to contain less than 18 at.%Nb. Based on the solidification phase selection involving phase competitive nucleation and growth, the α‐Cr phase was predicted to be the primary nucleating phase and the β‐Cr2Nb the primary growing phase. Under large undercooling conditions, the solidification process was controlled by nucleation, which led to the formation of α‐Cr primary particles. With the decrease in undercooling, the solidification process developed into growth controlling, which caused the occurrence of β‐Cr2Nb primary phase since the actual solidification path of the alloy lay within the hypereutectic region. The explanation was confirmed by the experimental composition analysis.
Ammoniation–Dehydration of Fatty Acids into Nitriles: Heterogeneous or Homogeneous Catalysis?
Authors: Mekki‐Berrada Adrien , Bennici Simona , Gillet Jean‐Philippe , Couturier Jean‐Luc , Dubois Jean‐Luc , Auroux Aline
Published: June 2013

Fatty nitriles have lately become of interest in the framework of biofuels and for the valorization of the oil part of biomass to form fine chemicals or polymers. The production of long‐chain fatty nitriles by the direct reaction of acids with NH3 has not been extensively studied, although several catalysts have been developed and published as patents. The characterization of this reaction with and without catalyst is, to the best of our knowledge, performed for the first time in this study. Several catalysts with various acid–base features were tested, and the best catalysts at 250 °C (Zn‐ and In‐based catalysts) were further studied. Catalytically active forms and models are proposed for the Zn‐ and In‐based catalysts, and the kinetic parameters for the amide to nitrile reaction are evaluated.
1,3,2‐Benzodiazaboroles with 1,3‐Pentafluorophenyl and Tetrafluoropyridyl Substituents as Building Blocks in Luminescent Compounds
Authors: Weber Lothar , Halama Johannes , Böhling Lena , Brockhinke Andreas , Chrostowska Anna , Darrigan Clovis , Dargelos Alain , Stammler Hans‐Georg , Neumann Beate
Published: June 2013

The reaction of N‐4′‐trimethylsilylphenyl‐3,6‐di‐tert‐butylcarbazole (3) or N‐5′‐trimethylsilylthien‐2′‐yl‐3,6‐di‐tert‐butylcarbazole (4) with boron tribromide and subsequently with triphenylphosphane afforded the dibromoborylphenylcarbazole–phosphane adduct 5 or its thiophene derivative 6 as colorless solids. These adducts were converted into the new benzodiazaborole derivatives 7 and 8 by treatment with N,N′‐bis(pentafluorophenyl)‐o‐phenylenediamine (1) and 2,2,6,6‐tetramethylpiperidine in hot toluene (52 or 45 % yield). The analogous compounds 9 and 10 were obtained by condensing precursors 5 and 6 with bis(N,N′‐2,3,5,6‐tetrafluoropyrid‐4‐yl)‐o‐phenylenediamine (2) in the presence of the piperidine derivative in 35 and 16 % yield. Compounds 7–10 were characterized by NMR spectroscopy (1H, 11B, 13C, 19F) and mass spectrometry. The molecular structure of 8 was elucidated by X‐ray diffraction analysis. The borylated systems show intense blue luminescence upon UV irradiation.
Crystal Structures and Spectroscopic and Theoretical Properties of Pentacoordinate Nickel(II) Complexes Containing Tris(pyrazolyl)borate and Quinolinate Ligands
Authors: López‐Banet Luisa , Santana M. Dolores , García Gabriel , Piernas M. José , García Luis , Pérez José , Calderón‐Casado Ainhoa , Barandika Gotzone
Published: June 2013

A series of quinolinate nickel–tris(pyrazolyl)borate complexes [Ni(Tp*)(N,O‐2,5,7‐R1,R2,R3‐8‐hq)] {Tp* = hydrotris(3,5‐dimethylpyrazolyl)borate, 8‐hq = 8‐hydroxyquinoline} were synthesized and characterized by spectroscopic methods. Single‐crystal X‐ray studies indicate that these complexes exhibit a pentacoordinate arrangement with chelating quinolinate and hydrotris(3,5‐dimethylpyrazolyl)borate ligands. The substituents on the quinolinate generate variations in the absorption and emission wavelengths. Substituents in the 5,7‐positions and a 2‐CN substituent in the quinolinate induce a bathochromic shift with respect to the unsubstituted derivative; however, 2‐Me and 2‐NH2 substituents cause a blueshift. The UV/Vis spectra were investigated by time‐dependent (TD)‐DFT on the basis of the optimized geometries; further calculations were performed to identify the main contributions to the corresponding molecular orbitals. These nickel(II) complexes show emissions between 458 and 561 nm in the solid state. The experimental results in combination with the theoretical approaches led us to propose that the lowest‐energy absorption can be assigned to both ligand‐to‐metal charge‐transfer and intraligand charge‐transfer (ILCT) transitions for the 2‐Me‐ and 2‐NH2‐substituted derivatives. Nevertheless, for the 5,7‐substituted and 2‐CN derivatives the transitions are mainly assigned to ILCT transitions with an admixture of metal orbitals. TD‐DFT calculations indicate that the contribution of the metal to the transitions is one of the essential factors.
Selective Preparation of Isomeric Tetrahydroxypillar[5]arenes and Pillar[3]arene[2]quinones
Authors: Pan Mingguang , Xue Min
Published: June 2013

The isomeric tetrahydroxylated pillar[5]arenes were synthesized through partial oxidation of 1,4‐dimethoxypillar[5]arene or 1,4‐dimethoxypillar[4]arene[1]quinone by (NH4)2[Ce(NO3)6] and then reduction by Na2S2O4. The intermediate 1,4‐dimethoxypillar[3]arene[2]quinones have two constitutional isomers. The yield of the 1,3‐isomer 1 can reach 42 %, and was far higher than that of the 1,2‐isomer 2 (formed in trace amounts). The approach provides an efficient way to prepare constitutional‐isomeric selectively functionalized pillar[5]arenes 3 and 4. Furthermore, the host–guest complexation of 3 and 4 with a bis(imidazolium) salt was investigated.
Effect of 3‐O‐Galloyl Substitution on the Electrochemical Oxidation of Quercetin and Silybin Galloyl Esters at Glassy Carbon Electrode
Authors: Zatloukalová Martina , Enache Teodor Adrian , Křen Vladimír , Ulrichová Jitka , Vacek Jan , Oliveira‐Brett Ana Maria
Published: June 2013

The galloyl substitution effect on the antioxidant potential of quercetin‐3‐O‐gallate (QG) and silybin‐3‐O‐gallate (SBG), and the oxidation of QG and SBG were studied by cyclic, differential and square‐wave voltammetry using a glassy carbon electrode, and compared with their structural components, quercetin (Q), silybin (SB), gallic acid and gallic acid methyl ester. Their multi‐step pH‐dependent anodic behaviour, first oxidation followed by oxidation of the hydroxyl groups at ring A, is similar to Q and SB. The galloyl substitution significantly improved the antioxidant potential of SB compared to Q, and brought useful knowledge about the antioxidant activity of Q and SB monogalloyl esters.
Limiting Factors for a Planar Solid Oxide Fuel Cell Under Different Flow and Temperature Conditions
Authors: Leone P. , Matencio T. , Garciä M. E. , Domigues Z. R. , Lanzini A. , Santarelli M.
Published: June 2013

The work investigates the performance of an anode supported solid oxide fuel cell under relevant conditions at different flow and temperature settings with the aim to identify performance limiting factors through impedance spectroscopy. Impedance spectroscopy is used to deconvolute impedance spectra of an in‐operating SOFC and identify limiting overpotentials. Those measurements are made under a wide range of flow and temperature conditions. In particular, oxidant flow rate is varied yielding fuel cell operation with 20, 40, 60, 80% oxidant utilization; fuel is instead changed in terms of flow and composition: fuel utilization factors in the range of 20–80% are investigated as well as the dilution with nitrogen. The operating temperature is varied in the range between 650 and 800 °C with steps of 50 °C. Results show that charge and mass transport can lead to a performance limitation according to the selected operating range for the investigated cell design. For the investigated anode‐supported design, a major improvement of performance could arise by reducing ohmic resistances (i.e. employing a thin electrolyte) and by an improvement of the anode geometry aiming at enhancing mass transport. In particular, at low temperature and high fuel utilization, fuel oxidation seems to be a relevant performance limiting factor.
Seismoacoustic coupling induced by the breakup of the 15 February 2013 Chelyabinsk meteor
Authors: Tauzin Benoit , Debayle Eric , Quantin Cathy , Coltice Nicolas
Published: June 2013

On 15 February 2013 around 03:20:00 UTC, the largest meteor reported since the 1908 Tunguska event was observed as a fireball traveling through the Earth's atmosphere, exploding in an air burst near the city of Chelyabinsk, Russia. The rarity of such an event provides a unique window on the physics of meteoroid collision. We report the fine seismic detection of Rayleigh waves produced by the coupling of ground motion with the incident shock wave at distances up to 4000 km from the event. Combining information from seismic beam‐forming analysis, reconstructed trajectory from casual video records, and remote sensing, we identify the Rayleigh waves as being initiated by the shock wave produced by the main blast that occasioned damages and injuries in Chelyabinsk. From the Rayleigh wave observations, we report a magnitude Ms∼3.7 seismic source.
Out‐of‐pocket payments for public healthcare services by selected exempted groups in Serbia during the period of post‐war healthcare reforms
Authors: Arsenijevic Jelena , Pavlova Milena , Groot Wim
Published: June 2013

This paper focuses on the exemption mechanism that accompanies patient co‐payments for outpatient and inpatient hospital care in Serbia. The objective was to investigate the level and dynamics of out‐of‐pocket payments for this type of services by exempted groups (older than 65 years, younger than 15 years, unemployed, disabled and individuals with low family income) compared with that by other groups. For this purpose, we use empirical household data collected in the Serbian Living Standards Measurement Study carried out in 2002, 2003 and 2007. These years correspond to the start of the recent reforms in the Serbian healthcare sector and 1 and 5 years after the start of the reform.

Our results show that people who belong to exempted groups were paying for healthcare in 2002, 2003 and 2007. They report different types of out‐of‐pocket payments for outpatient and inpatient hospital care. Thus, despite the ambition of the Ministry of Health in Serbia to promote equity in healthcare as a leading aim of the reforms, the implementation of the exemption mechanism fails to protect the targeted groups. Future exemption mechanism should be pro‐poor oriented but should also exempt those whose health status requires a frequent healthcare use. Copyright © 2013 John Wiley & Sons, Ltd.
Affinity of a galactose‐specific legume lectin from Dolichos lablab to adenine revealed by X‐ray cystallography
Authors: Shetty Kartika N. , Latha Vakada Lavanya , Rao Rameshwaram Nagender , Nadimpalli Siva Kumar , Suguna Kaza
Published: June 2013

Crystal structure analysis of a galactose‐specific lectin from a leguminous food crop Dolichos lablab (Indian lablab beans) has been carried out to obtain insights into its quaternary association and lectin‐carbohydrate interactions. The analysis led to the identification of adenine binding sites at the dimeric interfaces of the heterotetrameric lectin. Structural details of similar adenine binding were reported in only one legume lectin, Dolichos biflorus, before this study. Here, we present the structure of the galactose‐binding D. lablab lectin at different pH values in the native form and in complex with galactose and adenine. This first structure report on this lectin also provides a high resolution atomic view of legume lectin‐adenine interactions. The tetramer has two canonical and two DB58‐like interfaces. The binding of adenine, a non‐carbohydrate ligand, is found to occur at four hydrophobic sites at the core of the tetramer at the DB58‐like dimeric interfaces and does not interfere with the carbohydrate‐binding site. To support the crystallographic observations, the adenine binding was further quantified by carrying out isothermal calorimetric titration. By this method, we not only estimated the affinity of the lectin to adenine but also showed that adenine binds with negative cooperativity in solution. © 2013 IUBMB Life, 65(7):633–644, 2013
Risk Factors for Treatment Failure With Antiosteoporosis Medication: The Global Longitudinal Study of Osteoporosis in Women (GLOW)
Authors: Díez-Pérez Adolfo , Adachi Jonathan D , Adami Silvano , Anderson Frederick A , Boonen Steven , Chapurlat Roland , Compston Juliet E , Cooper Cyrus , Gehlbach Stephen H , Greenspan Susan L , Hooven Frederick H , LaCroix Andrea Z , Nieves Jeri W , Netelenbos J Coen , Pfeilschifter Johannes , Rossini Maurizio , Roux Christian , Saag Kenneth G , Silverman Stuart , Siris Ethel S , Wyman Allison , Rushton-Smith Sophie K , Watts Nelson B ,   for the Global Longitudinal Study of Osteoporosis in Women (GLOW) Investigators
Published: June 2013

Antiosteoporosis medication (AOM) does not abolish fracture risk, and some individuals experience multiple fractures while on treatment. Therefore, criteria for treatment failure have recently been defined. Using data from the Global Longitudinal Study of Osteoporosis in Women (GLOW), we analyzed risk factors for treatment failure, defined as sustaining two or more fractures while on AOM. GLOW is a prospective, observational cohort study of women aged ≥55 years sampled from primary care practices in 10 countries. Self-administered questionnaires collected data on patient characteristics, fracture risk factors, previous fractures, AOM use, and health status. Data were analyzed from women who used the same class of AOM continuously over 3 survey years and had data available on fracture occurrence. Multivariable logistic regression was used to identify independent predictors of treatment failure. Data from 26,918 women were available, of whom 5550 were on AOM. During follow-up, 73 of 5550 women in the AOM group (1.3%) and 123 of 21,368 in the non-AOM group (0.6%) reported occurrence of two or more fractures. The following variables were associated with treatment failure: lower Short Form 36 Health Survey (SF-36) score (physical function and vitality) at baseline, higher Fracture Risk Assessment Tool (FRAX) score, falls in the past 12 months, selected comorbid conditions, prior fracture, current use of glucocorticoids, need of arms to assist to standing, and unexplained weight loss ≥10 lb (≥4.5 kg). Three variables remained predictive of treatment failure after multivariable analysis: worse SF-36 vitality score (odds ratio [OR] per 10-point increase, 0.85; 95% confidence interval [CI], 0.76–0.95; p = 0.004); two or more falls in the past year (OR, 2.40; 95% CI, 1.34–4.29; p = 0.011), and prior fracture (OR, 2.93; 95% CI, 1.81–4.75; p < 0.0001). The C statistic for the model was 0.712. Specific strategies for fracture prevention should therefore be developed for this subgroup of patients. © 2014 American Society for Bone and Mineral Research.
Femoral and Vertebral Strength Improvements in Postmenopausal Women With Osteoporosis Treated With Denosumab
Authors: Keaveny Tony M , McClung Michael R , Genant Harry K , Zanchetta Jose R , Kendler David , Brown Jacques P , Goemaere Stefan , Recknor Chris , Brandi Maria L , Eastell Richard , Kopperdahl David L , Engelke Klaus , Fuerst Thomas , Radcliffe Hoi-Shen , Libanati Cesar
Published: June 2013

In the randomized, placebo-controlled FREEDOM study of women aged 60 to 90 years with postmenopausal osteoporosis, treatment with denosumab once every 6 months for 36 months significantly reduced hip and new vertebral fracture risk by 40% and 68%, respectively. To gain further insight into this efficacy, we performed a nonlinear finite element analysis (FEA) of hip and spine quantitative computed tomography (QCT) scans to estimate hip and spine strength in a subset of FREEDOM subjects (n = 48 placebo; n = 51 denosumab) at baseline, 12, 24, and 36 months. We found that, compared with baseline, the finite element estimates of hip strength increased from 12 months (5.3%; p < 0.0001) and through 36 months (8.6%; p < 0.0001) in the denosumab group. For the placebo group, hip strength did not change at 12 months and decreased at 36 months (–5.6%; p < 0.0001). Similar changes were observed at the spine: strength increased by 18.2% at 36 months for the denosumab group (p < 0.0001) and decreased by –4.2% for the placebo group (p = 0.002). At 36 months, hip and spine strength increased for the denosumab group compared with the placebo group by 14.3% (p < 0.0001) and 22.4% (p < 0.0001), respectively. Further analysis of the finite element models indicated that strength associated with the trabecular bone was lost at the hip and spine in the placebo group, whereas strength associated with both the trabecular and cortical bone improved in the denosumab group. In conclusion, treatment with denosumab increased hip and spine strength as estimated by FEA of QCT scans compared with both baseline and placebo owing to positive treatment effects in both the trabecular and cortical bone compartments. These findings provide insight into the mechanism by which denosumab reduces fracture risk for postmenopausal women with osteoporosis. © 2014 The Authors. Journal of Bone and Mineral Research published by Wiley Periodicals, Inc. on behalf of the American Society for Bone and Mineral Research. This is an open access article under the terms of the Creative Commons Attribution–NonCommercial–NoDerivs License, which permits use and distribution in any medium, provided the original work is properly cited, the use is non-commercial and no modifications or adaptations are made.
Is There a Family Profile of Addictive Behaviors? Family Functioning in Anorexia Nervosa and Drug Dependence Disorder
Authors: Doba Karyn , Nandrino Jean‐Louis , Dodin Vicent , Antoine Pascal
Published: June 2013

Objectives

The objective of the study was to determine whether family profiles differ between patients with anorexia nervosa or drug dependence disorder.

Method

25 families of patients with anorexia nervosa and 26 families of patients with drug dependence disorder responded to a battery of self‐reports (Interpersonal Dependence Inventory, Family Adaptability and Cohesion Evaluation Scales, and Family Questionnaire).

Results

A lack of social self‐confidence was observed in patients with anorexia nervosa or drug dependence disorder and their parents. Family disturbances characterized by low cohesion and emotional reliance on another person were observed in the families of patients with anorexia nervosa or drug dependence disorder.

Conclusions

The present study suggests that there are differing levels of severity of family disturbances among fathers, mothers, and patients in both anorexia nervosa and drug dependence disorder.