bluuebunny/crossref_metadata_2025 huggingface dataset:
Label‐Free and Continuous‐Flow Ferrohydrodynamic Separation of HeLa Cells and Blood Cells in Biocompatible Ferrofluids
Authors: Zhao Wujun , Zhu Taotao , Cheng Rui , Liu Yufei , He Jian , Qiu Hong , Wang Lianchun , Nagy Tamas , Querec Troy D. , Unger Elizabeth R. , Mao Leidong
Published: December 2015

In this study, a label‐free, low‐cost, and fast ferrohydrodynamic cell separation scheme is demonstrated using HeLa cells (an epithelial cell line) and red blood cells. The separation is based on cell size difference, and conducted in a custom‐made biocompatible ferrofluid that retains the viability of cells during and after the assay for downstream analysis. The scheme offers moderate‐throughput (≈106 cells h−1 for a single channel device) and extremely high recovery rate (>99%) without the use of any label. It is envisioned that this separation scheme will have clinical applications in settings where rapid cell enrichment and removal of contaminating blood will improve efficiency of screening and diagnosis such as cervical cancer screening based on mixed populations in exfoliated samples.
Synthesis and Electronic, Optical, and Electrochemical Properties of a Series of Tetracyanobutadiene‐Substituted Carbazoles
Authors: Kato Shin‐ichiro , Noguchi Hiroto , Jin Satoshi , Nakamura Yosuke
Published: December 2015

A series of tetracyanobutadiene (TCBD)‐substituted carbazole chromophores were synthesized by formal [2+2] cycloaddition between tetracyanoethylene (TCNE) and carbazole derivatives containing an acetylenic moiety, followed by retro‐electrocyclization. The reactivity of the carbazole varied depending on the conjugation connectivity between the carbazole and acetylenic moieties, the number of the carbazole moieties, and the length of the acetylenic moieties. All of the products feature intramolecular charge‐transfer bands in the visible region. TCBD substitution at the 1‐position of the carbazole gave rise to small HOMO–LUMO gaps compared to that at the 2‐ and 3‐positions. The relationship between the TCBD substitution pattern of the carbazole moiety and the effectiveness of donor–acceptor π‐conjugation was evaluated, and it was established that the π‐conjugation was effective in order of positions 1<2<3.
Biomimetische superhydrophobe/superoleophile hoch fluorierte Graphenoxid‐ZIF‐8‐Komposite für die Öl‐Wasser‐Trennung
Authors: Jayaramulu Kolleboyina , Datta Kasibhatta Kumara Ramanatha , Rösler Christoph , Petr Martin , Otyepka Michal , Zboril Radek , Fischer Roland A.
Published: December 2015

Die Synthese von superhydrophoben/superoleophilen HFGO@ZIF‐8‐Kompositen aus hoch fluoriertem Graphenoxid (HFGO) und dem nanokristallinen zeolithischen Imidazolatgerüst ZIF‐8 wird vorgestellt. Die strukturdirigierenden und koordinativen Eigenschaften des HFGO erlauben eine selektive Nukleation der ZIF‐8‐Nanopartikel entlang der Sauerstoff‐funktionalisierten Oberfläche des Graphenoxids. Dies führt zu einer lokalisierten Keimbildung und Größenkontrolle der ZIF‐8‐Nanokristalle innerhalb der HFGO‐Schichten. Die Mikrostruktur des Verbundmaterials ist durch die Anwesenheit von Fluorgruppen entlang der Graphenoberfläche charakterisiert. Durch Selbstorganisation resultiert eine einzigartige mikro‐mesoporöse Struktur, deren Mikroporosität durch die enthaltenen ZIF‐8‐Nanokristalle begründet ist. Das Hybridmaterial weist einen großen Wasserkontaktwinkel von 162° und einen sehr niedrigen Ölkontaktwinkel von 0° auf, wodurch eine hohe Sorptionsselektivität sowie ein gutes Aufnahmevermögen für nichtpolare/polare Lösungsmittel und Öl‐Wasser‐Gemische gegeben ist. Demzufolge können die Sponge@HFGO@ZIF‐8‐Kompositmaterialien für die Öl‐Wasser‐Trennung eingesetzt werden.
Force‐Induced Reversal of β‐Eliminations: Stressed Disulfide Bonds in Alkaline Solution
Authors: Dopieralski Przemyslaw , Ribas‐Arino Jordi , Anjukandi Padmesh , Krupicka Martin , Marx Dominik
Published: December 2015

Understanding the impact of tensile forces on disulfide bond cleavage is not only crucial to the breaking of cross‐linkers in vulcanized materials such as strained rubber, but also to the regulation of protein activity by disulfide switches. By using ab initio simulations in the condensed phase, we investigated the response of disulfide cleavage by β‐elimination to mechanical stress. We reveal that the rate‐determining first step of the thermal reaction, which is the abstraction of the β‐proton, is insensitive to external forces. However, forces larger than about 1 nN were found to reshape the free‐energy landscape of the reaction so dramatically that a second channel is created, where the order of the reaction steps is reversed, turning β‐deprotonation into a barrier‐free follow‐up process to C−S cleavage. This transforms a slow and force‐independent process with second‐order kinetics into a unimolecular reaction that is greatly accelerated by mechanical forces.
Tetrazole Photoclick Chemistry: Reinvestigating Its Suitability as a Bioorthogonal Reaction and Potential Applications
Authors: Li Zhengqiu , Qian Linghui , Li Lin , Bernhammer Jan C. , Huynh Han Vinh , Lee Jun‐Seok , Yao Shao Q.
Published: December 2015

The bioorthogonality of tetrazole photoclick chemistry has been reassessed. Upon photolysis of a tetrazole, the highly reactive nitrile imine formed undergoes rapid nucleophilic reaction with a variety of nucleophiles present in a biological system, along with the expected cycloaddition with alkenes. The alternative use of the tetrazole photoclick reaction was thus explored: tetrazoles were incorporated into Bodipy and Acedan dyes, providing novel photo‐crosslinkers with one‐ and two‐photon fluorescence Turn‐ON properties that may be developed into protein‐detecting biosensors. Further introduction of these photo‐activatable, fluorogenic moieties into staurosporine resulted in the corresponding probes capable of photoinduced, no‐wash imaging of endogenous kinase activities in live mammalian cells.
Enantioselective Aza Michael‐Type Addition to Alkenyl Benzimidazoles Catalyzed by a Chiral Phosphoric Acid
Authors: Wang Ya‐Yi , Kanomata Kyohei , Korenaga Toshinobu , Terada Masahiro
Published: December 2015

Highly enantioselective Michael‐type addition (MTA) reactions between N‐protected alkenyl benzimidazoles and either pyrazoles or indazoles as nitrogen nucleophiles are accomplished for the first time using chiral phosphoric acid catalyst. Theoretical studies elucidated the reaction pathway and the origin of the stereochemical outcomes, where the catalyst substituent and the N‐protecting group of benzimidazole contributed to the resulting high enantioselectivity.
A General Method for Extracting Individual Coupling Constants from Crowded 1H NMR Spectra
Authors: Sinnaeve Davy , Foroozandeh Mohammadali , Nilsson Mathias , Morris Gareth A.
Published: December 2015

Couplings between protons, whether scalar or dipolar, provide a wealth of structural information. Unfortunately, the high number of 1H‐1H couplings gives rise to complex multiplets and severe overlap in crowded spectra, greatly complicating their measurement. Many different methods exist for disentangling couplings, but none approaches optimum resolution. Here, we present a general new 2D J‐resolved method, PSYCHEDELIC, in which all homonuclear couplings are suppressed in F2, and only the couplings to chosen spins appear, as simple doublets, in F1. This approaches the theoretical limit for resolving 1H‐1H couplings, with close to natural linewidths and with only chemical shifts in F2. With the same high sensitivity and spectral purity as the parent PSYCHE pure shift experiment, PSYCHEDELIC offers a robust method for chemists seeking to exploit couplings for structural, conformational, or stereochemical analyses.
Solvent‐Enabled Radical Selectivities: Controlled Syntheses of Sulfoxides and Sulfides
Authors: Wang Huamin , Lu Qingquan , Qian Chaohang , Liu Chao , Liu Wei , Chen Kai , Lei Aiwen
Published: December 2015

Controlling selectivity is of central importance to radical chemistry. However, the highly reactive and unstable radical intermediates make this task especially challenging. Herein, a strategy for taming radical redox reactions has been developed, in which solvent‐bonding can alter the reactivity of the generated radical intermediates and thereby drastically alter the reaction selectivity at room temperature. Various β‐oxy sulfoxides and β‐hydroxy sulfides can be facilely obtained, some of which are difficult to synthesize by existing methods. Notably, neither a metal catalyst nor any further additives are necessary in these processes.
Amid‐substituierte Titanocene für die H‐Atom‐Transfer‐Katalyse
Authors: Zhang Yong‐Qiang , Jakoby Verena , Stainer Katharina , Schmer Alexander , Klare Sven , Bauer Mirko , Grimme Stefan , Cuerva Juan Manuel , Gansäuer Andreas
Published: December 2015

Zwei neue katalytische Systeme für die HAT‐Katalyse mit N‐H‐Bindungen Amid‐substituierter Titanocen(III)‐Komplexe werden vorgestellt. In einem Monometallsystem wird ein bifunktioneller Katalysator für die Radikalgenerierung und ‐reduktion durch HAT‐Katalyse eingesetzt. Diese Bifunktionalität hängt von der Koordination des Amidliganden ab. In einem Dimetallsystem aktivieren Amid‐substituierte Titanocen(III)‐Komplexe Crabtrees Katalysator für die Radikalgenerierung und HAT‐Katalyse.
Asymmetric Conjugate Alkynylation of Cyclic α,β‐Unsaturated Carbonyl Compounds with a Chiral Diene Rhodium Catalyst
Authors: Dou Xiaowei , Huang Yinhua , Hayashi Tamio
Published: December 2015

Asymmetric conjugate alkynylation of cyclic α,β‐unsaturated carbonyl compounds (ketones, esters, and amides) was realized by use of diphenyl[(triisopropylsilyl)ethynyl]methanol as an alkynylating reagent in the presence of a rhodium catalyst coordinated with a new chiral diene ligand (Fc‐bod; bod=bicyclo[2.2.2]octa‐2,5‐diene, Fc=ferrocenyl) to give high yields of the corresponding β‐alkynyl‐substituted carbonyl compounds with 95–98 % ee.
C‐Alkylation of Ketones and Related Compounds by Alcohols: Transition‐Metal‐Catalyzed Dehydrogenation
Authors: Huang Fei , Liu Zhuqing , Yu Zhengkun
Published: December 2015

Transition‐metal‐catalyzed C‐alkylation of ketones and secondary alcohols, with alcohols, avoids use of organometallic or environmentally unfriendly alkylating agents by means of borrowing hydrogen (BH) or hydrogen autotransfer (HA) activation of the alcohol substrates. Water is formed as the only by‐product, thus making the BH process atom‐economical and environmentally benign. Diverse homogeneous and heterogeneous transition‐metal catalysts, ketones, and alcohols can be used for this transformation, thus rendering the BH process promising for replacing those procedures that use traditional alkylating agents. This Minireview summarizes the advances during the last five years in transition‐metal‐catalyzed BH α‐alkylation of ketones, and β‐alkylation of secondary alcohols with alcohols. A discussion on the application of the BH strategy for C−C bond formation is included.
Genomic divergence and brain evolution: How regulatory DNA influences development of the cerebral cortex
Authors: Silver Debra L.
Published: December 2015

The cerebral cortex controls our most distinguishing higher cognitive functions. Human‐specific gene expression differences are abundant in the cerebral cortex, yet we have only begun to understand how these variations impact brain function. This review discusses the current evidence linking non‐coding regulatory DNA changes, including enhancers, with neocortical evolution. Functional interrogation using animal models reveals converging roles for our genome in key aspects of cortical development including progenitor cell cycle and neuronal signaling. New technologies, including iPS cells and organoids, offer potential alternatives to modeling evolutionary modifications in a relevant species context. Several diseases rooted in the cerebral cortex uniquely manifest in humans compared to other primates, thus highlighting the importance of understanding human brain differences. Future studies of regulatory loci, including those implicated in disease, will collectively help elucidate key cellular and genetic mechanisms underlying our distinguishing cognitive traits.
Magnetite and Metal‐Impregnated Magnetite Catalysts in Organic Synthesis: A Very Old Concept with New Promising Perspectives
Authors: Baeza Alejandro , Guillena Gabriela , Ramón Diego J.
Published: December 2015

Magnetite is a well‐known material, with the impregnation of transition metals onto its surface being a very old protocol for preparing catalysts. However, only recently, the combination of both, magnetite and impregnation protocols, have been recognized as a powerful methodology to prepare catalysts. The impregnation protocol, of nearly all transition metals in the magnetite surface, has rendered the first generation of catalysts. These simple catalysts have been used in a very broad range of organic transformations. Thus, simple imine derivative formation or unknown reactions such as the direct cross β‐alkylation of primary alcohols, through dehydrogenation, oxidation, addition, hydrogen autotransfer, and multicomponent reactions has been accomplished using these catalysts. In most cases, these catalysts could be just isolated by magnetic decantation and reused several times without a detrimental effect on the initial results. In some cases, the study of the surface of the catalyst by means of several surface characterization techniques has permitted to determine the real species involved in the process and their structural changes within the reaction cycles. Furthermore, the post‐modification of the catalysts by reduction or oxidation of the immobilized metal, or by the addition of ligands, has enlarged the applicability of this type of catalysts.
A Water‐Soluble Copper–Polypyridine Complex as a Homogeneous Catalyst for both Photo‐Induced and Electrocatalytic O2 Evolution
Authors: Xiang Rui‐Juan , Wang Hong‐Yan , Xin Zhi‐Juan , Li Cheng‐Bo , Lu Ya‐Xing , Gao Xue‐Wang , Sun Hua‐Ming , Cao Rui
Published: December 2015

The water‐soluble polypyridine copper complex [Cu(F3TPA)(ClO4)2] [1; F3TPA=tris(2‐fluoro‐6‐pyridylmethyl)amine] catalyzes water oxidation in a pH 8.5 borate buffer at a relatively low overpotential of 610 mV. Assisted by photosensitizer and an electron acceptor, 1 also exhibits activity as a homogeneous catalyst for photo‐induced O2 evolution with a maximum turnover frequency (TOF) of (1.58±0.03)×10−1 s−1 and a maximum turnover number (TON) of 11.61±0.23. In comparison, the reference [Cu(TPA)(ClO4)2] [TPA=tris(2‐pyridylmethyl)amine] displayed almost no activity under either set of conditions, implying the crucial role of the ligand in determining the behavior of the catalyst. Experimental evidence indicate the molecular catalytic nature of 1, leading to a potentially practical strategy to apply the copper complex in a photoelectrochemical device for water oxidation.
Carboranylphosphinic Acids: A New Class of Purely Inorganic Ligands
Authors: Oleshkevich Elena , Teixidor Francesc , Choquesillo‐Lazarte Duane , Sillanpää Reijo , Viñas Clara
Published: December 2015

Purely inorganic carboranyl phosphinates were prepared, and the influence of the cluster on the reactivity of the phosphinate group was studied. Electron‐withdrawal by the carboranyl carbon atoms, combined with space‐filling efficiency and enhanced aromaticity of the cluster cage, renders the phosphorus more difficult to oxidize. This enables carboranyl phosphinates to survive harsh oxidizing conditions, a property which is uncommon in organic phosphinates.
Use of Lanthanide‐Containing Polyoxometalates to Sensitise the Emission of Fluorescent Labelled Serum Albumin
Authors: Holmes‐Smith A. Sheila , Crisp Jacob , Hussain Firasat , Patzke Greta R. , Hungerford Graham
Published: December 2015

Monitoring the interaction of biomolecules is important, and the use of energy transfer is a principal technique in elucidating nanoscale interactions. Lanthanide compounds are promising luminescent probes for biological samples as their emission is longer‐lived than any native autofluorescence. Polyoxometalates (POMs) are interesting structural motifs to incorporate lanthanides, offering low toxicity and a size pertinent for biological applications. Here, we employ iso‐structured POMs containing either terbium or europium and assess their interaction with serum albumin by sensitisation of a fluorescent tag on the protein via LRET (luminescence resonance energy transfer) by exciting the lanthanide. Time‐resolved measurements showed energy transfer with an efficiency of over 90 % for the POM–protein systems. The Tb–POM results were relatively straightforward, while those with the iso‐structured Eu–POM were complicated by the effect of protein shielding from the aqueous environment.
Ambient Synthesis of One‐/Two‐Dimensional CuAgSe Ternary Nanotubes as Counter Electrodes of Quantum‐Dot‐Sensitized Solar Cells
Authors: Chen Xin Qi , Bai Yang , Li Zhen , Wang Lian Zhou , Dou Shi Xue
Published: December 2015

One‐/two‐dimensional ternary CuAgSe nanotubes (NTs) were successfully prepared from copper selenide (Cu2−xSe) NTs at room temperature within a short reaction time by the facile cation‐exchange approach. Cation exchange leads to the transformation of the crystal structure from cubic into orthorhombic and/or tetragonal with good retention of morphology. The exchange reactions are spontaneous owing to large negative changes of the Gibbs free energy. The effects of parameters such as reaction time, precursor source, and precursor ratio on the exchange reaction were investigated. The resultant CuAgSe NTs were explored as counter electrodes (CEs) of quantum‐dot‐sensitized solar cells (QDSSCs) and achieved higher conversion efficiency (η=5.61 %) than those of QDSSCs with the gold as the CE (3.32 %).
Network utility maximization in multipath lossy wireless networks
Authors: Pham Quoc‐Viet , Hwang Won‐Joo
Published: December 2015

The end‐to‐end rate control in multipath wireless multihop networks has been widely studied so as to exploit path diversity and improve network performance. However, it has been recognized that the hop‐by‐hop congestion control is stable and spatially smoothed in the absence and presence of delay, respectively. As a result, we are motivated to consider the lossy features of wireless links and propose a novel utility maximization problem for multipath communication networks. In view of the fact that the considered optimization problem formulated as a multipath network utility maximization problem is in non‐convex form and hard to tackle, we first cast the underlying problem into a convex one and then solve the convex approximation problem by the Lagrangian duality technique. What is more, an efficient hop‐by‐hop rate control algorithm is proposed. In addition, we prove that the proposed two‐loop algorithm converges to the optimal solution satisfying the Karush–Kuhn–Tucker optimality conditions of the original optimization problem. We finally validate the effectiveness of the proposed algorithm through extensive simulations and compare the performance of the proposed algorithm with a hop‐by‐hop single‐path rate control algorithm and also with an end‐to‐end multipath algorithm. Copyright © 2015 John Wiley & Sons, Ltd.
Print‐Tuning Lateralization and Handedness: an Event‐Related Potential Study in Dyslexic Higher Education Students
Authors: van Setten Ellie R. H. , Martinez‐Ferreiro Silvia , Maurits Natasha M. , Maassen Ben A. M.
Published: December 2015

Despite their ample reading experience, higher education students with dyslexia still show deficits in reading and reading‐related skills. Lateralized print tuning, the early sensitivity to print of the left parietal cortex signalled by the N1 event‐related potential (ERP) component, differs between beginning dyslexic readers and controls. For adults, the findings are mixed. The present study aims to investigate whether print tuning, as indexed by the N1 component, differs between 24 students with dyslexia and 15 non‐dyslexic controls. Because handedness has been linked to lateralization, first, a separate analysis was conducted including only right‐handed participants (n = 12 in both groups), like in most previous studies. ERPs were measured during a judgement task, requiring visual, phonological, or semantic judgments. In both groups, the N1 was earlier and stronger in the left than in the right hemisphere. However, when only strongly right‐handed participants were evaluated, the N1 was less left‐lateralized for participants with dyslexia as compared with controls. Participants with dyslexia had longer reaction times during the ERP experiment and performed worse on many reading (‐related) tasks. These findings suggest that abnormal print tuning can still be found among higher education students with dyslexia and that handedness should be regarded in the study of print tuning. Copyright © 2015 John Wiley & Sons, Ltd.
The circulating microRNome demonstrates distinct lymphocyte subset‐dependent signatures
Authors: de Candia Paola , Torri Anna , Fedeli Maya , Viganò Valentina , Carpi Donatella , Gorletta Tatiana , Casorati Giulia , Pagani Massimiliano , Dellabona Paolo , Abrignani Sergio
Published: December 2015

Upon activation, lymphocytes release vesicles containing microRNAs (miRNAs). However, little is known as to whether this release results in modulation of circulating miRNAs (the miRNome) in the serum. The present work aims to identify lymphocyte subset‐specific signatures of miRNAs within the serum circulating miRNome. We therefore assessed serum miRNA expression profiles in wild‐type mice; in mice lacking either CD4+ T cells, CD8+ T cells, invariant natural killer T (iNKT) cells, or B cells; and, as a control, in mice in which Dicer has been ablated in T lymphocytes. We found that specific serum miRNAs are differentially modulated when different lymphocyte subsets are lacking. In particular, the serum level of miR‐181b‐5p, previously demonstrated to be fundamental for the development of iNKT cells, is specifically reduced in mice in which iNKT cells are absent. Interestingly, our results indicate a direct link between the biological role of a single miRNA in lymphocyte development and its serum level, and prove that even a population composed of relatively few cells in vivo, such as iNKT lymphocytes, has a measurable effect on the serum circulating miRNome.
Valence Tautomerism in Main‐Group Complexes? Computational Modeling of Si, Ge, Sn, and Pb Bischelates with o‐Iminoquinone Ligands
Authors: Chegerev Maxim G. , Starikova Alyona A. , Piskunov Alexander V. , Cherkasov Vladimir K.
Published: December 2015

The potential valence tautomeric (VT) properties of bischelate complexes of group 14 elements with 2,6‐di‐tert‐butyl‐4‐[(3,5‐di‐tert‐butyl‐2‐hydroxyphenyl)imino]cyclohexa‐2,5‐dienone (I) and 4,6‐di‐tert‐butyl‐N‐(R)‐o‐aminophenol (II, R = Ph and tBu) were studied computationally. According to DFT B3LYP/6‐311++G(d,p)/SDD calculations, the silicon complexes will be present as SiIV isomers with pseudotetrahedral coordination sites. Geometry optimizations of both lead bischelates I and II result in tetragonal‐pyramidal PbII structures. In the germanium complex I, the energy difference (5.2 kcal mol–1) between the electromeric forms allows the expectation of valence tautomerism, but the large energy barrier of the spin‐forbidden reaction (20.8 kcal mol–1) will complicate the occurrence of a thermally initiated redox process. Tin complex II (R = tBu) is characterized by a narrow energy gap between the tetragonal‐pyramidal and pseudotetrahedral electromeric forms (7.0 kcal mol–1) and a low energy barrier (11.7 kcal mol–1) for their interconversion and, therefore, may be considered as a promising candidate for the observation of thermally driven VT rearrangements.
Alkylammonium Guest Induced‐Fit Recognition by a Flexible Dihomo­oxacalix[4]arene Derivative
Authors: Talotta Carmen , Gaeta Carmine , De Rosa Margherita , Ascenso José R. , Marcos Paula M. , Neri Placido
Published: December 2015

The conformationally mobile tetramethoxy‐dihomooxacalix[4]arene 1c is able to interact with linear and branched alkylammonium guests through an induced‐fit process mainly driven by H‐bonds and cation–π interactions. Although free 1c adopts a 1,4‐alternate conformation in solution, in the presence of linear nBuNH3+ and branched sBuNH3+ and iPrNH3+ guests, it preferentially forms endo‐complexes in a cone conformation through adaptive structural change in response to the presence of the ammonium guests. In accordance with previous results, the DFT‐optimized structures of the complexes indicate that they are mainly stabilized by H‐bonding interactions between the guest ammonium group and the host CH2OCH2 ethereal bridge.
Molybdenum Pentachloride Mediated Synthesis of Spirocyclic Compounds by Intramolecular Oxidative Coupling
Authors: Schubert Moritz , Wehming Kathrin , Kehl Anton , Nieger Martin , Schnakenburg Gregor , Fröhlich Roland , Schollmeyer Dieter , Waldvogel Siegfried R.
Published: December 2015

The oxidative treatment of (m)ethyl 2‐aryl cinnamates equipped with methoxy groups in position 4 of the phenyl moiety promote the formation of cyclohexadienone substructures. This dealkylative oxidative C–C coupling gives access to spirocyclic compounds and avoids the construction of the corresponding phenanthrenes. Furthermore, the transformation can be expanded to other spirocyclic systems.
Investigation of the relationship of seismic intensity measures and the accumulation of damage on concrete gravity dams using incremental dynamic analysis
Authors: Soysal Berat Feyza , Binici Baris , Arici Yalin
Published: December 2015

Nonlinear analysis tools are gaining prominence for the design and evaluation of concrete gravity dams. The performance limits of concrete gravity dams within the framework of performance based design are challenging to determine in comparison to those used for the assessments based on linear elastic analyses. The uncertainty in quantifying the behavior of these systems and the strong dependence of the behavior on the ground motion play an important role. The purpose of the study is to quantify the damage levels on a representative monolith using incremental dynamic analysis (IDA). For this purpose, the constitutive model utilized was calibrated first to the existing experimental results to verify the ability of the utilized cracking model to simulate the crack propagation process. Next, the relation between the damage levels on the monolith and the ground motion characteristics was investigated. The results of the conducted IDA showed that the engineering demand parameters (EDP) such as the crest displacement and acceleration showed weak correlation with the damage states. The spectral velocity and the peak ground acceleration were determined to be better predictors for the damage on the monolith. Copyright © 2015 John Wiley & Sons, Ltd.
Nanosized titanium dioxide influences copper-induced toxicity during aging as a function of environmental conditions
Authors: Rosenfeldt Ricki R. , Seitz Frank , Haigis Ann-Cathrin , Höger Johanna , Zubrod Jochen P. , Schulz Ralf , Bundschuh Mirco
Published: December 2015

Titanium dioxide nanoparticles (TiO2-NPs) adsorb co-occurring heavy metals in surface waters, modulating their toxicity for freshwater invertebrates. The processes triggering this interaction may be influenced by several environmental parameters; however, their relative importance remains unclear. The present study assessed the implications of aging on the joint acute toxicity of copper (Cu) and TiO2-NPs for Daphnia magna over a duration of up to 72 h. The influences of aging duration as well as ionic strength, pH, and presence of different qualities of organic matter during aging were assessed. The results indicated that the presence of TiO2-NPs often reduced the Cu-induced toxicity for daphnids after aging (albeit with varying extent), which was displayed by up to 3-fold higher EC50 (50% effective concentration) values compared to the absence of TiO2-NPs. Moreover, the Cu speciation, influenced by the ionic composition and the pH as well as the presence of organic additives in the medium, strongly modulated the processes during aging, with partly limited implications of the aging duration on the ecotoxicological response of D. magna. Nonetheless, the present study underpins the potential of TiO2-NPs to modify toxicity induced by heavy metals in freshwater ecosystems under various environmental conditions. This pattern, however, needs further verification using heavy metal ions with differing properties in combination with further environmental factors, such as ultraviolet irradiation. Environ Toxicol Chem 2016;35:1766–1774. © 2015 SETAC
USAT: A Unified Score‐Based Association Test for Multiple Phenotype‐Genotype Analysis
Authors: Ray Debashree , Pankow James S. , Basu Saonli
Published: December 2015

Genome‐wide association studies (GWASs) for complex diseases often collect data on multiple correlated endo‐phenotypes. Multivariate analysis of these correlated phenotypes can improve the power to detect genetic variants. Multivariate analysis of variance (MANOVA) can perform such association analysis at a GWAS level, but the behavior of MANOVA under different trait models has not been carefully investigated. In this paper, we show that MANOVA is generally very powerful for detecting association but there are situations, such as when a genetic variant is associated with all the traits, where MANOVA may not have any detection power. In these situations, marginal model based methods, however, perform much better than multivariate methods. We investigate the behavior of MANOVA, both theoretically and using simulations, and derive the conditions where MANOVA loses power. Based on our findings, we propose a unified score‐based test statistic USAT that can perform better than MANOVA in such situations and nearly as well as MANOVA elsewhere. Our proposed test reports an approximate asymptotic P‐value for association and is computationally very efficient to implement at a GWAS level. We have studied through extensive simulations the performance of USAT, MANOVA, and other existing approaches and demonstrated the advantage of using the USAT approach to detect association between a genetic variant and multivariate phenotypes. We applied USAT to data from three correlated traits collected on 5, 816 Caucasian individuals from the Atherosclerosis Risk in Communities (ARIC, The ARIC Investigators []) Study and detected some interesting associations.
Meta‐Analysis of Rare Variant Association Tests in Multiethnic Populations
Authors: Mensah‐Ablorh Akweley , Lindstrom Sara , Haiman Christopher A. , Henderson Brian E. , Marchand Loic Le , Lee Seunngeun , Stram Daniel O. , Eliassen A. Heather , Price Alkes , Kraft Peter
Published: December 2015

Several methods have been proposed to increase power in rare variant association testing by aggregating information from individual rare variants (MAF < 0.005). However, how to best combine rare variants across multiple ethnicities and the relative performance of designs using different ethnic sampling fractions remains unknown. In this study, we compare the performance of several statistical approaches for assessing rare variant associations across multiple ethnicities. We also explore how different ethnic sampling fractions perform, including single‐ethnicity studies and studies that sample up to four ethnicities. We conducted simulations based on targeted sequencing data from 4,611 women in four ethnicities (African, European, Japanese American, and Latina). As with single‐ethnicity studies, burden tests had greater power when all causal rare variants were deleterious, and variance component‐based tests had greater power when some causal rare variants were deleterious and some were protective. Multiethnic studies had greater power than single‐ethnicity studies at many loci, with inclusion of African Americans providing the largest impact. On average, studies including African Americans had as much as 20% greater power than equivalently sized studies without African Americans. This suggests that association studies between rare variants and complex disease should consider including subjects from multiple ethnicities, with preference given to genetically diverse groups.
SPERCS—A tool for environmental emission estimation
Authors: Reihlen Antonia , Bahr Tobias , Bögi Christian , Dobe Christopher , May Thomas , Verdonck Frederik , Wind Thorsten , Zullo Lorenzo , Tolls Johannes
Published: December 2015

The European Union (EU) chemicals regulation Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) requires a hazardous substance registration to identify the uses of a substance and the corresponding conditions of safe use. This requirement includes a human and an environmental safety assessment. Exposure scenarios are developed and employed for estimating emissions resulting from the uses of hazardous substances. To support the environmental assessments, the REACH guidance documents define 22 environmental release categories (ERCs) with conservative release factors (RFs) to water, air, and soil. Several industry associations target the ERCs to more specific uses and respective emission scenarios to enable more realistic emission estimations. They have developed more than 190 specific ERCs (SPERCs) as standardized descriptions of operational conditions (OCs) and risk management measures (RMMs). SPERCs reflect the current good practice and are documented in factsheets. These factsheets contain the information necessary for environmental emission modeling. Key parameters are the substance use rate, the efficiency of the risk management measures (if applicable), and the RFs. These parameters can be based on literature or measured company data or are justified by qualitative arguments. The majority of SPERCs have been implemented as realistic worst-case emission values in screening-level chemical safety assessment (CSA) tools. Three regulatory reviews in Europe have established requirements for documenting the SPERCs and for justifying the RFs. In addition, each of the reviews included recommendations for improving the SPERCs. The latest review proposed a condensed factsheet that focuses on the essentials for exposure assessment and subsequent communication in safety data sheets. It is complemented with a background document for providing details on the emission scenarios and justifications. In the EU the SPERCs will be further progressed in a consensus process using the multi-stakeholder expert network on exposure scenarios. The SPERCs have the potential to be used in environmental risk assessments within other regulatory frameworks or in other geographical regions. Integr Environ Assess Manag 2016;12:772–781. © 2015 SETAC
DNA Superresolution Structure of Reed–Sternberg Cells Differs Between Long‐Lasting Remission Versus Relapsing Hodgkin's Lymphoma Patients
Authors: Righolt Christiaan H. , Knecht Hans , Mai Sabine
Published: December 2015

Recent developments in microscopy have led to superresolution microscopy images of cells. Structured illumination microscopy was used before to reveal new details in the DNA structure and the structure of the DNA‐free space in the DAPI‐stained cell nuclei of the Hodgkin's lymphoma HDLM‐2 cell line. This study extends this technology to primary pre‐treatment classical Hodgkin's lymphoma samples of ten patients. Significant differences in both the DNA structure and the structure of the DNA‐free space were detected between lymphocytes and malignant cells. Both types of structures were similar for lymphocytes of different patients. When the patients were un‐blinded and grouped based on their clinical outcome, either non‐relapsed or relapsed, a significant difference in the DNA structure of their Reed–Sternberg (RS) cells was found. Since, RS cells develop from mono–nucleated Hodgkin (H) cells, these data suggest distinct architectural restructuring of nuclei during RS cell formation in patients going to long‐lasting remission versus relapse. J. Cell. Biochem. 117: 1633–1637, 2016. © 2015 Wiley Periodicals, Inc.
Antiviral Action of Diphenyl Diselenide on Herpes Simplex Virus 2 Infection in Female BALB/c Mice
Authors: Sartori Gláubia , Jardim Natália Silva , Marcondes Sari Marcel Henrique , Dobrachinski Fernando , Pesarico Ana Paula , Rodrigues Luiz Carlos , Cargnelutti Juliana , Flores Eduardo F. , Prigol Marina , Nogueira Cristina W.
Published: December 2015

Diphenyl diselenide, (PhSe)2, is an organoselenium compound with pharmacological actions mostly related to antioxidant and anti‐inflammatory properties. The study investigated its antiviral and virucidal actions against herpes simplex virus 2 (HSV‐2) infection in vitro and in a vaginal infection model in mice. The plaque reduction assay indicated that (PhSe)2 showed virucidal and antiviral actions reducing infectivity in 70.8% and 47%, respectively. The antiviral action of (PhSe)2 against HSV‐2 vaginal infection was performed by infecting mice (105 PFU/ml−1) at day 6. The treatment with (PhSe)2 (5 mg/kg/day, intragastric [i.g.]) followed 5 days before and for more 5 days after infection. The extravaginal lesion score was evaluated from days 6 to 10. At day 11, animals were killed, and histological evaluation, determination of viral load, and TNF‐α and IFN‐γ levels were performed in supernatants of homogenized vaginal tissue. The levels of reactive species (RS), protein carbonyl, non‐protein thiols (NPSH), nitrate/nitrite (NOx), and malondialdehyde (MDA), and the activities of myeloperoxidase (MPO), superoxide dismutase (SOD), catalase (CAT), glutathione peroxidase (GPx), and glutathione reductase (GR) were determined. (PhSe)2 reduced the histological damage, extravaginal lesion scores, the viral load of vaginal tissue, and the activity of MPO, but increased the levels of TNF‐α, IFN‐γ. (PhSe)2 attenuated the increase of RS, MDA, NOx levels and the activity of GR caused by infection. (PhSe)2 also attenuated the reduction of NPSH content and the inhibition of CAT, SOD, and GPx activities. The antiviral action of (PhSe)2 against HSV‐2 infection was related to its immunomodulatory, antioxidant, and anti‐inflammatory properties. J. Cell. Biochem. 117: 1638–1648, 2016. © 2015 Wiley Periodicals, Inc.
Aggregation of Ribosomal Protein S6 at Nucleolus Is Cell Cycle‐Controlled and Its Function in Pre‐rRNA Processing Is Phosphorylation Dependent
Authors: Zhang Duo , Chen Hui‐Peng , Duan Hai‐Feng , Gao Li‐Hua , Shao Yong , Chen Ke‐Yan , Wang You‐Liang , Lan Feng‐Hua , Hu Xian‐Wen
Published: December 2015

Ribosomal protein S6 (rpS6) has long been regarded as one of the primary r‐proteins that functions in the early stage of 40S subunit assembly, but its actual role is still obscure. The correct forming of 18S rRNA is a key step in the nuclear synthesis of 40S subunit. In this study, we demonstrate that rpS6 participates in the processing of 30S pre‐rRNA to 18S rRNA only when its C‐terminal five serines are phosphorylated, however, the process of entering the nucleus and then targeting the nucleolus does not dependent its phosphorylation. Remarkably, we also find that the aggregation of rpS6 at the nucleolus correlates to the phasing of cell cycle, beginning to concentrate in the nucleolus at later S phase and disaggregate at M phase. J. Cell. Biochem. 117: 1649–1657, 2016. © 2015 Wiley Periodicals, Inc.
Integrative Psychotherapy for Schizophrenia: Its Potential for a Central Role in Recovery Oriented Treatment
Authors: Lysaker Paul H. , Roe David
Published: December 2015

Research has affirmed that recovery from serious mental illnesses (SMI), such as schizophrenia, is a common outcome and often involves subjective changes in the experience of self, one's identity, and one's sense of agency in the world. Although many different interventions have been developed and validated, efforts to consider how those interventions should be integrated to assist people to direct their own recovery have been limited. This article considers the 5 case reports of psychotherapy presented in this special issue that have sought to integrate scientifically valid approaches within a recovery frame work. Exploring shared themes, this article suggests that a common set of processes exists between these examples of integrative work. These include therapist acceptance of a vulnerable stance in the face of uncertainty, which rejects stigma and remains open to knowing the person. This ultimately allows the kinds of meaning to be made jointly between the therapist and client that promote recovery.
E11/Podoplanin Protein Stabilization Through Inhibition of the Proteasome Promotes Osteocyte Differentiation in Murine in Vitro Models
Authors: Staines Katherine A. , Prideaux Matt , Allen Steve , Buttle David J. , Pitsillides Andrew A. , Farquharson Colin
Published: December 2015

The transmembrane glycoprotein E11 is considered critical in early osteoblast–osteocyte transitions (osteocytogenesis), however its function and regulatory mechanisms are still unknown. Using the late osteoblast MLO‐A5 cell line we reveal increased E11 protein/mRNA expression (P < 0.001) concomitant with extensive osteocyte dendrite formation and matrix mineralization (P < 0.001). Transfection with E11 significantly increased mRNA levels (P < 0.001), but immunoblotting failed to detect any correlative increases in E11 protein levels, suggestive of post‐translational degradation. We found that exogenous treatment of MLO‐A5 and osteocytic IDG‐SW3 cells with 10 μM ALLN (calpain and proteasome inhibitor) stabilized E11 protein levels and induced a profound increase in osteocytic dendrite formation (P < 0.001). Treatment with other calpain inhibitors failed to promote similar osteocytogenic changes, suggesting that these effects of ALLN rely upon its proteasome inhibitor actions. Accordingly we found that proteasome‐selective inhibitors (MG132/lactacystin/ Bortezomib/Withaferin‐A) produced similar dose‐dependent increases in E11 protein levels in MLO‐A5 and primary osteoblast cells. This proteasomal targeting was confirmed by immunoprecipitation of ubiquitinylated proteins, which included E11, and by increased levels of ubiquitinylated E11 protein upon addition of the proteasome inhibitors MG132/Bortezomib. Activation of RhoA, the small GTPase, was found to be increased concomitant with the peak in E11 levels and its downstream signaling was also observed to promote MLO‐A5 cell dendrite formation. Our data indicate that a mechanism reliant upon blockade of proteasome‐mediated E11 destabilization contributes to osteocytogenesis and that this may involve downstream targeting of RhoA. This work adds to our mechanistic understanding of the factors regulating bone homeostasis, which may lead to future therapeutic approaches. J. Cell. Physiol. 231: 1392–1404, 2016. © 2015 The Authors. Journal of Cellular Physiology published by Wiley Periodicals, Inc.
Juggling work and family responsibilities when involuntarily working more from home: A multiwave study of financial sales professionals
Authors: Lapierre Laurent M. , van Steenbergen Elianne F. , Peeters Maria C. W. , Kluwer Esther S.
Published: December 2015

Using multiwave survey data collected among 251 financial sales professionals, we tested whether involuntarily working more from home (teleworking) was related to higher time‐based and strain‐based work‐to‐family conflict (WFC). Employees' boundary management strategy (integration vs. segmentation) and work–family balance self‐efficacy were considered as moderators of these relationships. Data were collected one month before, three months after, and 12 months after the implementation of a new cost‐saving policy that eliminated employees' access to office space in a centralized work location. The policy resulted in employees being forced to work more from home. A voluntary telework program had been in effect before the new policy, implying that working more from home as a result of the new policy was involuntary in nature. Results revealed that involuntarily working more from home was associated with higher strain‐based WFC but not higher time‐based WFC. However, moderator analyses revealed that the positive association between involuntarily working more from home and both types of WFC was significantly stronger among employees with weaker self‐efficacy in balancing work and family. Boundary management strategy had no detectable moderating effect. Copyright © 2015 John Wiley & Sons, Ltd.
Projecting spring wheat yield changes on the Canadian Prairies: effects of resolutions of a regional climate model and statistical processing
Authors: Qian Budong , Wang Hong , He Yong , Liu Jiangui , De Jong Reinder
Published: December 2015

In addition to the uncertainty associated with crop models, climate scenarios are still a major source of uncertainty in projecting crop yield changes under climate change. Regional climate models (RCMs) are used as tools for dynamic downscaling of climate scenarios from global climate models (GCMs) to regional scales for climate change impact studies. It is known that running an RCM is more expensive and time consuming at a higher resolution than at a lower resolution. Therefore, it is interesting to investigate how resolutions of an RCM and statistical processing of RCM data may result in differences in projected crop yield changes. We used the decision support system for agrotechnology transfer (DSSAT)–CERES‐Wheat model to simulate yield changes of spring wheat at 13 locations across the Canadian Prairies, with climate scenarios from a Canadian RCM (CanRCM4) driven by a Canadian earth system model (CanESM2) with the forcing scenarios RCP4.5 and RCP8.5 at 25 and 50 km resolutions. Bias correction and a stochastic weather generator referred to as AAFC‐WG were used as statistical processing tools to develop future climate scenarios as input to the crop model. The results showed that when changes were averaged across the locations, whether 25‐ or 50‐km resolution CanRCM4 data were used, the projected yield changes were fairly consistent with those based on its driving GCM–CanESM2, especially if AAFC‐WG was used to develop future climate scenarios. The spatial patterns of the projected yield changes were also similar for the two resolutions of CanRCM4, although the magnitude of the projected changes had a relatively large range among the scenarios at some locations. These results indicated that using future climate scenarios based on climate change simulations by GCMs might be sufficient for projecting regional crop yield changes on the Canadian Prairies.
The application of Raman spectroscopy for the detection and identification of microorganisms
Authors: Stöckel Stephan , Kirchhoff Johanna , Neugebauer Ute , Rösch Petra , Popp Jürgen
Published: December 2015

A fast and reliable detection and identification of microorganisms is crucial in environmental science, for food quality as well as medical diagnosis. In these fields, all types of Raman spectroscopy are gaining more and more importance during the last years. The review provides an extensive overview of recent research, technical expertise, and scientific findings based on Raman spectroscopic detection and identification of microorganisms within the years 2010 and 2015, demonstrating the diverse capability of Raman spectroscopy as a modern analytical tool. Raman spectroscopy distinguishes itself from other currently applied techniques by its easy application at low cost, its high speed of analysis, and its broad information content on both the chemical composition and the structure of biomolecules within the microorganisms. Slight chances in the chemical composition of microorganisms can be monitored by means of Raman spectroscopy and used to differentiate genera, species, or even strains. Detection of pathogens is possible from complex matrices, such as soil, food, and body fluids. Further, spectroscopic studies of host–pathogen interactions are addressed as well as the effect of antibiotics on bacteria. Copyright © 2015 John Wiley & Sons, Ltd.