bluuebunny/crossref_metadata_2025 huggingface dataset:
Noncharged and Charged Monodendronised Perylene Bisimides as Highly Fluorescent Labels and their Bioconjugates
Authors: Huth Katharina , Heek Timm , Achazi Katharina , Kühne Christian , Urner Leonhard H. , Pagel Kevin , Dernedde Jens , Haag Rainer
Published: January 2017

A series of water‐soluble, hydroxylated and sulphated, polyglycerol (PG) dendronised, monofunctional perylene bisimides (PBIs) were synthesised in three generations. Their photophysical properties were determined by absorption and emission spectroscopy and their suitability as potential biolabels examined by biological in vitro studies after bioconjugation. It could be shown that the photophysical properties of the PBI labels can be improved by increasing the sterical demand and ionic charge of the attached dendron. Thereby, charged labels show superior suppression of aggregation over charge neutral labels owing to electrostatic repulsion forces on the PG‐dendron. The ionic charges also enabled a reduction in dendron generation while retaining the labels’ outstanding fluorescence quantum yields (FQYs) up to 100 %. These core‐unsubstituted perylene derivatives were successfully applied as fluorescent labels upon bioconjugation to the therapeutic antibody cetuximab. The dye‐antibody conjugates showed a strongly enhanced aggregation tendency compared to the corresponding free dyes. Biological evaluation by receptor‐binding, cellular uptake, and cytotoxicity studies revealed that labelling did not affect the antibody's function, which renders the noncharged and charged dendronised PBIs suitable candidates as fluorescent labels in biological imaging.
Excited State N−H Tautomer Selectivity in the Singlet Energy Transfer of a Zinc(II)‐Porphyrin–Truxene–Corrole Assembly
Authors: Langlois Adam , Xu Hai‐Jun , Karsenti Paul‐Ludovic , Gros Claude P. , Harvey Pierre D.
Published: January 2017

An original corrole‐containing polyad for S1 energy transfer, in which one zinc(II)‐porphyrin donor is linked to two free‐base corrole acceptors by a truxene linker, is reported. This polyad exhibits a rapid zinc(II)‐porphyrin*→free‐base corrole transfer (4.83×1010 s−1; 298 K), even faster than the tautomerization in the excited state processes taking advantage of the good electronic communication provided by the truxene bridge. Importantly, the energy transfer process shows approximately 3‐fold selectivity for one corrole N−H tautomer over the other even at low temperature (77 K). This selectivity is due to the difference in the J‐integral being effective in both the Förster and Dexter mechanisms. The data are rationalized by DFT computations.
Synthesis of the Smallest Member of the Silylketene Family: H3SiC(H)=C=O
Authors: Tarczay György , Förstel Marko , Góbi Sándor , Maksyutenko Pavlo , Kaiser Ralf I.
Published: January 2017

Exploiting photoionization reflectron time‐of‐flight mass spectrometry (PI‐ReTOF‐MS) combined with electronic structure calculations, it is shown that the hitherto elusive silylketene molecule (H3SiC(H)=C=O)—the isovalent counterpart of the well‐known methylketene molecule—is forming via interaction of energetic electrons with low‐temperature silane–carbon monoxide ices. In combination with the infrared spectroscopically detected triplet dicarbon monoxide reactant, electronic structure calculations suggest that dicarbon monoxide reacts with silane via a de facto insertion of the terminal carbon atom into a silicon–hydrogen single bond. This is followed by non‐adiabatic reaction dynamics triggered by the heavy silicon atom intersystem crossing from the triplet to the singlet manifold, eventually leading to the formation of silylketene. The non‐equilibrium nature of the elementary reactions within the exposed ices results in an exciting and novel chemistry which cannot be explored via traditional preparative chemistry. Since the replacement of hydrogen in silane can introduce side groups such as silyl or alkyl, the reaction of triplet dicarbon monoxide with silane represents the parent system for a previously disregarded reaction class revealing an elegant path to access the largely reactive group of silylketenes.
The Impact of the Interplay between Steric and Electronic Effects on the Synthesis and Optical Properties of Diketopyrrolopyrroles Bearing Pyridine Moieties
Authors: Vakuliuk Olena , Purc Anna , Clermont Guillaume , Blanchard‐Desce Mireille , Gryko Daniel T.
Published: January 2017

The influence of a combination of steric and electronic factors on both the preparation and the optical properties of diketopyrrolopyrroles was investigated. The attachment of a cyano group to the electron‐deficient pyridine ring overcame the negative influence of the flanking methyl group on the efficiency of the synthesis of diketopyrrolopyrroles. Diketopyrrolopyrroles possessing pyridine‐N‐oxide moieties were studied for the first time. We have also shown that reactions of cyanopyridines possessing an additional dialkylamino group were very capricious and depending on the relative position of all substituents, can lead to low yields of diketopyrrolopyrroles. The interplay between the dihedral angle between the diketopyrrolopyrrole core and the pyridyl substituents as well as the presence and position of electron‐donating moieties made it possible to modulate the photophysical properties ofN,N′‐dialkyldiketopyrrolopyrroles. In particular, it was found that pyridine‐N‐oxides as the aryl moieties had a strong influence on the optical properties of diketopyrrolopyrroles, shifting both absorption and emission bands bathochromically. Two‐photon absorption cross‐sections had low values except for those dyes possessing a clear quadrupolar centrosymmetric nature.
Blue‐Light‐Emitting Triazolopyridinium and Triazoloquinolinium Salts
Authors: Carboni Valentina , Su Xin , Qian Hai , Aprahamian Ivan , Credi Alberto
Published: January 2017

Compounds that emit blue light are of interest for applications that include optoelectronic devices and chemo/biosensing and imaging. The design and synthesis of small organic molecules that can act as high‐efficiency deep‐blue‐light emitters in the solid state and can be easily processed from solutions represents a significant challenge. Herein we present the preparation and photophysical, photochemical and electrochemical properties of a series of triazolopyridinium and triazoloquinolinium compounds. The compounds are soluble in water or polar organic solvents and exhibit photoluminescence in the blue region of the spectrum in fluid solution, in the solid state and in a frozen matrix.
Cross‐language Transfer of Metalinguistic Skills: Evidence from Spelling English Words by Korean Students in Grades 4, 5 and 6
Authors: Yeon Sookkyung , Bae Han Suk , Joshi R. Malatesha
Published: January 2017

The present study examined unique and shared contributions of Korean (first language) phonological, orthographic and morphological awareness (PA, OA and MA, respectively) to English (second/foreign language) spelling among 287 fourth‐grade, fifth‐grade and sixth‐grade Korean children. Korean measures of PA, OA and MA were administered, in addition to English vocabulary and spelling measures. Results from structural equation modelling showed that PA, OA and MA were caused by one common construct, metalinguistic awareness (META), and the contribution of Korean META to English spelling was statistically significant, controlling for English vocabulary. In particular, Korean MA and PA played unique roles in explaining English spelling; whereas Korean OA did not significantly contribute to English spelling. Findings from the present study provided empirical evidence of first language META transfer effect on second/foreign language spelling development. Educational implications and future research ideas are discussed. Copyright © 2017 John Wiley & Sons, Ltd.
Sexual selection constrains the body mass of male but not female mice
Authors: Ruff James S. , Cornwall Douglas H. , Morrison Linda C. , Cauceglia Joseph W. , Nelson Adam C. , Gaukler Shannon M. , Meagher Shawn , Carroll Lara S. , Potts Wayne K.
Published: January 2017

Sexual size dimorphism results when female and male body size is influenced differently by natural and sexual selection. Typically, in polygynous species larger male body size is thought to be favored in competition for mates and constraints on maximal body size are due to countervailing natural selection on either sex; however, it has been postulated that sexual selection itself may result in stabilizing selection at an optimal mass. Here we test this hypothesis by retrospectively assessing the influence of body mass, one metric of body size, on the fitness of 113 wild‐derived house mice (Mus musculus) residing within ten replicate semi‐natural enclosures from previous studies conducted by our laboratory. Enclosures possess similar levels of sexual selection, but relaxed natural selection, relative to natural systems. Heavier females produced more offspring, while males of intermediate mass had the highest fitness. Female results suggest that some aspect of natural selection, absent from enclosures, acts to decrease their body mass, while the upper and lower boundaries of male mass are constrained by sexual selection.
Tri‐trophic ecology of native parasitic nest flies of birds inTobago
Authors: Knutie Sarah A. , Herman Jordan M. , Owen Jeb P. , Clayton Dale H.
Published: January 2017

Introduced parasites threaten host populations around the world. For example, introduced parasitic nest flies (Philornis downsi) have contributed to the decline of several species of Darwin's finches in the Galápagos Islands. Introduced parasites are thought to have severe effects on native hosts because the hosts do not have effective defenses against such parasites and/or because introduced parasites have escaped the native enemies that keep their own populations in check. Studying effects of parasites on native hosts is an essential step in testing these causal hypotheses. We conducted a field experiment to assess the virulence of a native species ofPhilornis(Philornis trinitensis), which parasitizes birds on the island of Tobago. We manipulated flies in nests of black‐faced grassquits (Tiaris bicolor), a close relative of Darwin's finches, as well as tropical mockingbirds (Mimus gilvus), a congener of the Galápagos mockingbird (Mimus parvulus). We predicted thatP. trinitensiswould be relatively avirulent because its native hosts in Tobago have had time to evolve effective defenses against it. We also noted the presence of parasitoids and other enemies ofPhilornisin Tobago nests. Surprisingly, effects of nativeP. trinitensison Tobago birds were similar to the effects of introducedP. downsion birds in the Galápagos. Flies reduced the reproductive success of grassquits, but not mockingbirds, which are also relatively unaffected byPhilornisin the Galapagos. Thus, nativePhilornisflies are not less virulent than introduced flies. The prevalence ofPhilornisin Tobago was lower than the prevalence ofPhilornisin the Galápagos. Presumed enemies ofPhilornis(parasitoid wasps and ants) were relatively common in nests of birds in Tobago, but largely absent from nests in the Galápagos. We suggest that introducedP. downsiin the Galápagos is widespread, not because hosts lack defenses, but because it has left its enemies behind.
Circumpolar analysis of the Adélie Penguin reveals the importance of environmental variability in phenological mismatch
Authors: Youngflesh Casey , Jenouvrier Stephanie , Li Yun , Ji Rubao , Ainley David G. , Ballard Grant , Barbraud Christophe , Delord Karine , Dugger Katie M. , Emmerson Louise M. , Fraser William R. , Hinke Jefferson T. , Lyver Phil O’B. , Olmastroni Silvia , Southwell Colin J. , Trivelpiece Susan G. , Trivelpiece Wayne Z. , Lynch Heather J.
Published: January 2017

Evidence of climate‐change‐driven shifts in plant and animal phenology have raised concerns that certain trophic interactions may be increasingly mismatched in time, resulting in declines in reproductive success. Given the constraints imposed by extreme seasonality at high latitudes and the rapid shifts in phenology seen in the Arctic, we would also expect Antarctic species to be highly vulnerable to climate‐change‐driven phenological mismatches with their environment. However, few studies have assessed the impacts of phenological change in Antarctica. Using the largest database of phytoplankton phenology, sea‐ice phenology, and Adélie Penguin breeding phenology and breeding success assembled to date, we find that, while a temporal match between Penguin breeding phenology and optimal environmental conditions sets an upper limit on breeding success, only a weak relationship to the mean exists. Despite previous work suggesting that divergent trends in Adélie Penguin breeding phenology are apparent across the Antarctic continent, we find no such trends. Furthermore, we find no trend in the magnitude of phenological mismatch, suggesting that mismatch is driven by interannual variability in environmental conditions rather than climate‐change‐driven trends, as observed in other systems. We propose several criteria necessary for a species to experience a strong climate‐change‐driven phenological mismatch, of which several may be violated by this system.
Antifouling biocides in German marinas: Exposure assessment and calculation of national consumption and emission
Authors: Daehne Dagmar , Fürle Constanze , Thomsen Anja , Watermann Burkard , Feibicke Michael
Published: January 2017

The authorization of biocidal antifouling products for leisure boats is the subject of the European Union Biocides Regulation 528/2012. National specifics may be regarded by the member states in their assessment of environmental risks. The aim of this survey was to collect corresponding data and to create a database for the environmental risk assessment of antifouling active substances in German surface waters. Water concentrations of current antifouling active substances and selected breakdown products were measured in a single-sampling campaign covering 50 marinas at inland and coastal areas. Increased levels were found for Zn, Cu, and cybutryne. For the latter, the maximum allowable concentration according to Directive 2013/39/EU was exceeded at 5 marinas. For Cu, local environmental quality standards were exceeded at 10 marinas. Base data on the total boat inventory in Germany were lacking until now. For that reason, a nationwide survey of mooring berths was conducted by use of aerial photos. About 206 000 mooring berths obviously used by boats with a potential antifouling application were counted. The blind spot of very small marinas was estimated at 20 000 berths. Seventy-one percent of berths were located at freshwater sites, illustrating the importance of navigable inland waterways for leisure boat activities and underlining the need for a customized exposure assessment in these areas. Moreover, the national consumption of all antifouling products for leisure boats was calculated. The total amount of 794 tonnes/annum (t/a) consisted of 179 t/a of inorganic Cu compounds, 19 t/a of organic cobiocides, and 49.5 t/a of Zn. With regard to weight proportion, 141 t/a Cu and 40 t/a Zn were consumed. Assuming an emission ratio of 50% during service life, 70.5 t/a of Cu amounted to 15% of all external sources for Cu release to German surface waters. These figures highlight the need for mitigation measures. Integr Environ Assess Manag 2017;13:892–905. © 2017 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals, Inc. on behalf of Society of Environmental Toxicology & Chemistry (SETAC)

Key Points

Seventy-one percent of the total berths used by leisure boats are situated at German freshwater sites. A survey on antifouling biocides in 50 marinas revealed the actual load situation. Cuprous compounds reached approximately 90% of consumed antifouling agents. Inputs of Cu emissions by leisure boats amount to 15% of all external sources of Cu released to German surface waters.
Teaching complex verbal operants to children with autism and establishing generalization using the peak curriculum
Authors: Dixon Mark R. , Peach Jacqueline , Daar Jacob H. , Penrod Cindy
Published: January 2017

The present study evaluated the feasibility of the PEAK Relational Training System's Generalization Module (Dixon, 2014b) to teach and establish generalization of autoclitic mands, distorted tacts, and creative path finding in three children diagnosed with autism spectrum disorder. Using a multiple‐baseline design across behaviors, each participant was provided with differential reinforcement and a least‐to‐most prompting hierarchy for correct responses to a subset of stimuli, and responses to other similar stimulus sets were probed for emergent generalization. Following training, each participant successfully acquired the directly trained behaviors and demonstrated generalization to the nonreinforced test exemplars. These data support the utility of Skinner's (1957) analysis to teach complex forms of verbal operants, and suggest that a manualized curriculum such as PEAK may have utility for promoting skill development and generalization for front line staff and caregivers of children with autism.
Proposal of a simple and effective local reactivity descriptor through a topological analysis of an orbital‐weighted fukui function
Authors: Pino‐Rios Ricardo , Yañez Osvaldo , Inostroza Diego , Ruiz Lina , Cardenas Carlos , Fuentealba Patricio , Tiznado William
Published: January 2017

The prediction of reactivity is one of the long‐standing objectives of chemistry, contributing to enforce the link between theory and experiment. In particular, the regioselectivity of aromatic molecules has motivated the proposal of different reactivity descriptors based on foundational theories, like Frontier Molecular Orbital (FMO) theory and density functional theory, to predict and rationalize such regioselectivity. This article examines cases where reactivity descriptors, based on FMO theories, are known to have failed, specifically on electrophilic aromatic substitution reactions, through a simple but effective new reactivity model: the Orbital‐weighted Fukui function (
) and its topological analysis. Interestingly, this descriptor proves to be effective in adequately predicting regioselectivities where other approximations failed. © 2017 Wiley Periodicals, Inc.
Little things that count: A call for organizational research on microbusinesses
Authors: Brawley Alice M. , Pury Cynthia L.S.
Published: January 2017

The purpose of this Incubator is to encourage organizational researchers to attend to the most common type of business in the United States—the microbusiness. After defining and describing these businesses, we propose research questions on defining and managing performance, organizational citizenship, and work–family conflict in this novel business setting. Copyright © 2017 John Wiley & Sons, Ltd.
Obesity and radiological severity are associated with viscosupplementation failure in patients with knee osteoarthritis
Authors: Eymard Florent , Chevalier Xavier , Conrozier Thierry
Published: January 2017

Viscosupplementation (VS) is still controversial. One of the key points is the lack of well‐identified factors of response. We aimed to identify clinical and radiological factors associated with lack of relevant response after intra‐articular (IA) hyaluronic acid (HA) injections in symptomatic knee osteoarthritis patients. A post hoc analysis of the HAV‐2012 trial, a controlled, multicentre, double‐blind, randomized, non‐inferiority trial comparing 3 weekly IA injections of HA (HAnox‐M or BioHA) for symptomatic tibiofemoral OA was performed. At inclusion, demographic, anthropometric, clinical data (WOMAC score, patient global assessment, presence of knee effusion), and radiological data (OARSI grade, patello‐femoral involvement) were recorded. VS response was defined according to OMERACT–OARSI response criteria at month 6. Predictors of response were investigated in univariate then in multivariate analysis. One hundred and sixty‐six patients with full available data were included. As baseline characteristics and treatment effectiveness were similar between the 2 HA groups, their data were pooled. The mean age was 65.2 [63.7–66.8] years; 101 (60.8%) were women; 73 (44.0%) had severe TF space narrowing. At 6 months, 113 patients (68.1%) were responders. Multivariate analysis showed that obesity (BMI ≥30 kg/m2) and radiological severity (OARSI grade 3) were significantly associated with VS failure (p = 0.001 and p = 0.008, respectively). Moreover, the association of obesity and severe TF space narrowing significantly increased the risk of VS failure. Baseline pain intensity and functional impairment were not associated with VS response. Consequently, IA injection of HA for knee OA should mainly be considered in subjects with low BMI and mild TF space narrowing. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:2269–2274, 2017.
Manufacturing‐induced material properties of linear flow split and linear bend split profiles
Authors: Bruder E. , Ahmels L. , Niehuesbernd J. , Müller C.
Published: January 2017

In this work the two massive forming processes linear flow splitting and linear bend splitting, which generate profiles from sheet metal, are evaluated with respect to characteristic manufacturing‐induced material properties of the produced parts. Resulting microstructural features such as grain size and shape as well as crystallographic textures are linked to mechanical properties such as strength, ductility and anisotropic elasticity and general rules for their evolution are defined. Residual stress distributions are detailed and discussed with regard to the causing geometrical and forming process related aspects. The aim of this paper is to give a comprehensive overview of the properties of profiles produced by linear flow splitting and linear bend splitting and to illustrate general rules for their evolution in order to provide guidelines for an optimized product development process which allows a beneficial use of the manufacturing‐induced properties.
Milling operations in continuous flow production lines
Authors: Schmidt S. , Turan E. , Abele E.
Published: January 2017

Within the Collaborative Research Center CRC 666 at the TU Darmstadt bifurcated structures in integral style are produced out of steel sheet band. In this context, the cutting technology is used to prepare the semi‐finished product for subsequent forming and machining operations as well as to even manufacturing induced shape and dimensional inaccuracies. In contrast to conventional cutting processes, the workpiece is constantly moved because of the continuous flow production. Thus, high dynamics of the machining process are required. To meet this demand, special built machine tools and the high speed cutting (HSC) technology are applied. This article shows the achieved results in sheet metal and edge milling.
Transcriptional and posttranscriptional regulation of Shigella shuT in response to host‐associated iron availability and temperature
Authors: Wei Yahan , Kouse Andrew B. , Murphy Erin R.
Published: January 2017

Like most bacteria, Shigella must maintain a precise balance between the necessity and toxicity of iron; a balance that is achieved, at least in part, by regulating the production of bacterial iron acquisition systems in response to specific environmental signals. Using the Shigella heme utilization (Shu) system, S. dysenteriae is able to acquire iron from heme, a potentially rich source of nutritional iron within the otherwise iron‐limited environment of the human host. Investigations presented within reveal two distinct molecular mechanisms underlying previously uncharacterized transcriptional and translational regulation of shuT, a gene encoding the periplasmic‐binding component of the Shu system. While shuT transcription is regulated in response to iron availability via a process dependent upon the global regulator Fur and a Fur‐binding site located immediately downstream of the promoter, shuT translation is regulated in response to environmental temperature via the activity of an RNA thermometer located within the 5′ untranslated region of the gene. Such complex regulation likely increases the fitness of S. dysenteriae by ensuring maximal ShuT production when the pathogen is within the iron‐limited and relatively warm environment of the infected host, the only environment in which heme will be encountered as a potential source of essential iron.
Stability of solution for a mixture of thermoelastic of type III
Authors: Fatori Luci Harue , Prado da Silva Rafael
Published: January 2017

In this work, we analyze the existence, uniqueness, and asymptotic behavior of solution to the model of a thermoelastic mixture of type III. We establish sufficient conditions to guarantee the exponential decay of solutions. When the decay is not of exponential type, we prove that the solutions decay polynomially and we find the optimal polynomial decay rate. Copyright © 2017 John Wiley & Sons, Ltd.
MTCH2 is a conserved regulator of lipid homeostasis
Authors: Rottiers Veerle , Francisco Adam , Platov Michael , Zaltsman Yehudit , Ruggiero Antonella , Lee Siu Sylvia , Gross Atan , Libert Sergiy
Published: January 2017

Objective

More than one‐third of U.S. adults have obesity, causing an alarming increase in obesity‐related comorbidities such as type 2 diabetes. The functional role of mitochondrial carrier homolog 2 (MTCH2), a human obesity‐associated gene, in lipid homeostasis was investigated in Caenorhabditis elegans, cell culture, and mice.

Methods

In C. elegans, MTCH2/MTCH‐1 was depleted, using RNAi and a genetic mutant, and overexpressed to assess its effect on lipid accumulation. In cells and mice, shRNAs against MTCH2 were used for knockdown and MTCH2 overexpression vectors were used for overexpression to study the role of this gene in fat accumulation.

Results

MTCH2 knockdown reduced lipid accumulation in adipocyte‐like cells in vitro and in C. elegans and mice in vivo. MTCH2 overexpression increased fat accumulation in cell culture, C. elegans, and mice. Acute MTCH2 inhibition reduced fat accumulation in animals subjected to a high‐fat diet. Finally, MTCH2 influenced estrogen receptor 1 (ESR1) activity.

Conclusions

MTCH2 is a conserved regulator of lipid homeostasis. MTCH2 was found to be both required and sufficient for lipid homeostasis shifts, suggesting that pharmacological inhibition of MTCH2 could be therapeutic for treatment of obesity and related disorders. MTCH2 could influence lipid homeostasis through inhibition of ESR1 activity.
Selective water‐permeable channels induced by polystyrene brushes within hairy nanocellulose/cellulose acetate membrane
Authors: Lessan F. , Karimi M.
Published: January 2017

Hairy nanocellulose (NC) was prepared by in‐situ admicellar polymerization of styrene on NC surface in the presence of cetyltrimethylammonium bromide through a stepwise fashion. It was also tried to achieve three hairy NCs with different polystyrene (PS) brush contents (i.e. 40, 50, and 80%) through altering monomer initial concentration. Then, NC and three hairy NCs were separately added into cellulose acetate (CA) solutions to fabricate membranes via the phase inversion technique. Transmission electron microscope images show that NC and three hairy NCs are spherical‐shaped nanoparticles. Results of Fourier transform infrared spectra provide clear evidence of PS brush being attached to the NC surfaces. Thermal gravimetric analysis confirms that increasing styrene initial concentration leads to enhanced PS content of hairy NCs. Results also elucidate that dispersions of prepared hairy NCs are highly stable even at high loading levels. It was found that incorporation of 1 wt% hairy NC with optimum brush content of 50% within CA membranes results in the increasing membrane water permeability from 7 to 40 l/m2 hr with no change in its selectivity. Indeed, new interactions induced by PS brushes at hairy NC/CA interfaces result in the creation of connected channels at the interfaces which facilitate water transport through the membrane. This study provides insights into the key role that PS brushes play in overcoming the dispersion problems of NC in nonpolar media and offers guidelines to tailor channels within hairy NC/CA membrane for enhanced filtration performance. Copyright © 2017 John Wiley & Sons, Ltd.
Thermoelastic vibration analysis of functionally graded wavy carbon nanotube‐reinforced cylinders
Authors: Moradi‐Dastjerdi Rasool , Payganeh Gholamhassan
Published: January 2017

In this study, free vibration behavior of functionally graded carbon nanotube‐reinforced composite (FG‐CNTRC) cylinders subjected to uniform temperature environment or thermal gradient loading is investigated by a mesh‐free method. The nanocomposite cylinders are made of a polymer matrix and wavy single‐walled carbon nanotubes (SWCNTs). The volume fraction of carbon nanotubes (CNTs) are assumed variable along the radial direction of the axisymmetric cylinder. Also, material properties of the polymer and CNT are assumed temperature‐dependent and mechanical properties of the nanocomposite are estimated by a micromechanical model in volume fraction form. In the mesh‐free analysis, moving least squares shape functions are used to approximate displacement field in the weak form of motion equation and the transformation method is used to impose essential boundary conditions. The material properties and natural frequency of the nanocomposite cylinders are derived after the derivation of cylinder temperature and by considering of the temperature and location. Effects of CNT distribution pattern and volume fraction, thermal, cylinder dimensions and CNT aspect ratio and waviness are investigated on the vibration behavior of the nanocomposite cylinders. POLYM. COMPOS., 39:E826–E834, 2018. © 2017 Society of Plastics Engineers
Effect of adding different amounts of graphite nanoplatelets on structural, thermal, mechanical and viscoelastic properties of vinylester based composites cured at 25°C
Authors: Jofre‐Reche José A. , Alia‐García Cristina , Suárez‐Bermejo Juan C. , Arenas‐Reina José M. , Miguel Martín‐Martínez José
Published: January 2017

Different amounts (0.1–5wt%) of graphite nanoplatelets (GNs) were added to vinylester (VE) for improving the properties of the composites cured at 25°C. The addition of 0.1wt% GN only increased the Tg and the thermal stability of the composite cured at 25°C. Furthermore, the addition of GN increased both the tensile strength and elongation‐at‐break of the composites cured at 25°C, but the effect of adding GN was less important when cured at 100°C. The improved properties of the composites were ascribed to the interactions between the oxygen species on the GN edges and the C==O and OH groups in the VE monomer, and to the higher fraction of the partially crosslinked polymer within the matrix. POLYM. COMPOS., 39:E1381–E1390, 2018. © 2017 Society of Plastics Engineers
Single cell proteomics in biomedicine: High‐dimensional data acquisition, visualization, and analysis
Authors: Su Yapeng , Shi Qihui , Wei Wei
Published: January 2017

New insights on cellular heterogeneity in the last decade provoke the development of a variety of single cell omics tools at a lightning pace. The resultant high‐dimensional single cell data generated by these tools require new theoretical approaches and analytical algorithms for effective visualization and interpretation. In this review, we briefly survey the state‐of‐the‐art single cell proteomic tools with a particular focus on data acquisition and quantification, followed by an elaboration of a number of statistical and computational approaches developed to date for dissecting the high‐dimensional single cell data. The underlying assumptions, unique features, and limitations of the analytical methods with the designated biological questions they seek to answer will be discussed. Particular attention will be given to those information theoretical approaches that are anchored in a set of first principles of physics and can yield detailed (and often surprising) predictions.
SWATH‐MS as a tool for biomarker discovery: From basic research to clinical applications
Authors: Anjo Sandra Isabel , Santa Cátia , Manadas Bruno
Published: January 2017

In the era of quantitative proteomics, where mass spectrometry plays a pivotal role, in particular associated with the use of data‐independent acquisition, it is time to perform an overview of this growing field with special focus on one of the most promising approaches: SWATH‐MS, and to present future perspectives for its application as a translational tool. Therefore, a summary of this technique is presented focusing on two key relevant concepts associated with its application in biomarker discovery: the protein library and the individual digital maps concepts. It is also the purpose of this review to document the likely impact of SWATH‐MS in both fundamental and translational research including biomarker identification and creation of diagnostic tools. To that end, the two concepts referred above were integrated with ongoing technical developments. Finally, some of the current restrictions for the implementation of SWATH‐MS on a large scale are identified, and potential solutions presented, namely protocol standardization combined with the use of the proper standards.
Quantitative proteomics of breast tumors: Tissue quality assessment to clinical biomarkers
Authors: Chen Yi , Britton David , Wood Elizabeth R. , Brantley Stephen , Magliocco Anthony , Pike Ian , Koomen John M.
Published: January 2017

Liquid chromatography‐selected reaction monitoring mass spectrometry (LC‐SRM) is not only a proven tool for clinical chemistry, but also a versatile method to enhance the capability to quantify biomarkers for tumor biology research. As the treatment of cancer continues to evolve, the ability to assess multiple biomarkers to assign cancer phenotypes based on the genetic background and the signaling of the individual tumor becomes paramount to our ability to treat the patient. In breast cancer, the American Society of Clinical Oncology has defined biomarkers for patient assessment to guide selection of therapy: estrogen receptor, progesterone receptor, and the HER2/Neu receptor tyrosine kinase; therefore, these proteins were selected for LC‐SRM assay development. Detailed molecular characterization of these proteins is necessary for patient treatment, so expression and phosphorylation assays have been developed and applied. In addition, other LC‐SRM assays were developed to further evaluate tumor biology (e.g. Ki‐67 for proliferation and vimentin for tumor aggressiveness related to the epithelial‐to‐mesenchymal transition). These measurements combined with biomarkers for tissue quality and histological content are implemented in a three‐tier multiplexed assay platform, which is translated from cell line models into frozen tumor tissues banked from breast cancer patients.
4H‐cyclopenta[2,1‐b:3,4‐b′]dithiophen‐4‐one (CPDTO) homopolymer with side chains on every other CPDTO
Authors: Sun Jianyuan , Venkatesan Swaminathan , Dubey Ashish , Qiao Qiquan , Zhang Cheng
Published: January 2017

A soluble 4H‐cyclopenta[2,1‐b;3,4‐b′]dithiophene‐4‐one (CPDTO)‐based polymer (C6‐PCPDTO) has been synthesized from two monomers derived from nonalkylated CPDTO and didodecyl CPDTO (C12‐CPDTO). Proton NMR, thermal analysis, UV–vis absorption, cyclic voltammetry, and XRD are used to characterize the polymer in solution and film. The new polymer has an optical bandgap of 1.28 eV in film, and has strong interchain interaction in chloroform solutions. The polymer contains a significant amount of homocoupled segments. The regular segments and homocoupled CPDTO segments render the polymer highly aggregating in solution. The non‐planar homocoupled C12‐CPDTO segments prevent the polymer from forming regular π‐stacks, resulting in a low SCLC hole mobility (3.88 × 10−7 cm2V−1s−1). CV experiments show that C6‐PCPDTO is stable in its oxidized and reduced states. Solar cell devices were fabricated from C6‐PCPDTO2:PC60BM blends of different weight ratios. High PC60BM loading (80% or greater) was required for the devices to show measurable efficiency, indicating that the limited π‐stacking of the polymer is not sufficient to cause effective phase separation. Further development of synthetic method is still needed to eliminate structural defects so that long‐range ordered pi‐stacking can be realized in the polymer for these applications. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 1077–1085
Comparison of RAFT‐derived poly(vinylpyrrolidone) verses poly(oligoethyleneglycol methacrylate) for the stabilization of glycosylated gold nanoparticles
Authors: Sze Ieong Nga , Biggs Caroline I. , Walker Marc , Gibson Matthew I.
Published: January 2017

Carbohydrates dictate many biological processes including infection by pathogens. Glycosylated polymers and nanomaterials which have increased affinity due to the cluster glycoside effect, are therefore useful tools to probe function, but also as prophylactic therapies or diagnostic tools. Here, the effect of polymer structure on the coating of gold nanoparticles is studied in the context of grafting density, buffer stability, and in a lectin binding assay. RAFT polymerization is used to generate poly(oligoethyleneglycol methacrylates) and poly(N‐vinylpyrrolidones) with a thiol end‐group for subsequent immobilization onto the gold. It is observed that poly(oligoethylene glycol methacrylates), despite being widely used particle coatings, lead to low grafting densities which in turn resulted in lower stability in biological buffers. A depression of the cloud point upon nanoparticle immobilization is also seen, which might compromise performance. In comparison poly(vinylpyrrolidones) resulted in stable particles with higher grafting densities due to the compact size of each monomer unit. The higher grafting density also enabled an increase in the number of carbohydrates which can be installed per nanoparticle at the chain ends, and gave increased binding in a lectin recognition assay. These results will guide the development of new nanoparticle biosensors with enhanced specificity, affinity, and stability. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016, 55, 1200–1208
Poly(glyceryl glycerol): A multi‐functional hydrophilic polymer for labeling with boronic acids
Authors: Borke Tina , Korpi Antti , Pooch Fabian , Tenhu Heikki , Hietala Sami
Published: January 2017

The synthesis of poly(glyceryl glycerol) (PGG), a polymer featuring a polyethylene oxide backbone and 1,2‐diol groups in every repeating unit, is presented. PGG was prepared by monomer‐activated ring‐opening polymerization of (dl−1,2‐isopropylidene glyceryl) glycidyl ether, introducing a functional azido‐ or bromo‐head group to each chain. The 1,2‐diol groups, which were released by acidic deprotection, readily reacted with boronic acid derivatives, enabling the attachment of functional moieties under mild aqueous conditions. PGG was conjugated to poly(l‐lactide) (PLLA) via azide‐alkyne cycloaddition and the resulting copolymer assembled into nanoparticles of 70 nm diameter in aqueous solution. Labeling of the PGG–PLLA particles was achieved by simple mixing with a boronic acid‐functional fluorophore. The labeling efficiency was determined by fluorescence spectroscopy to be 85.5% for boronic acid‐functional rhodamine B compared with 0.2% for plain rhodamine B. The strong interaction of PGG with boronic acids is ascribed to its polyol structure. This study demonstrates the usefulness and versatility of PGG as a hydrophilic polymer for possible biomedical applications. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 1822–1830
Examining the sustainability of Screening for Distress, the sixth vital sign, in two outpatient oncology clinics: A mixed‐methods study
Authors: Groff Shannon , Holroyd‐Leduc Jayna , White Deborah , Bultz Barry D.
Published: January 2017

Background

Research indicates that cancer patients experience significant multifactorial distress during their journey. To address this, cancer centers are implementing Screening for Distress programs; however, little is known about the sustainability of these programs. This study sought to examine the sustainability of a Screening for Distress program in 2 cancer clinics 6 months post implementation.

Methods

A mixed‐methods cross‐sectional design was utilized. To determine if screening rates, screening conversations and appropriate interventions occurred and the charts of 184 consecutive patients attending the head and neck or neuro‐oncology clinics over a 3 week period were reviewed. To examine the barriers and facilitators of sustainability, 16 semi‐structured interviews with administrators, physicians, and nurses were conducted.

Results

Of the 184 charts reviewed, 163 (88.6%) had completed screening tools. Of these 163, 130 (79.8%) indicated that a conversation occurred with the patient about the identified distress as reported on the screening tool. Of the 89 (54.6%) charts where the need for an intervention was indicated, 68 (76.4%) had an intervention documented. Six oncologists, 7 nurses, and 3 administrators were interviewed, and 5 themes which influenced the sustainability of the program emerged: (1) attitudes, knowledge, and beliefs about the program; (2) implementation approach; (3) outcome expectancy of providers; (4) integration with existing practices; and (5) external factors.

Conclusions

This study suggests that Screening for Distress was largely sustained, possibly due to positive attitudes and outcome expectancy. However, sustainability may be enhanced by formally integrating screening with existing practices, addressing potential knowledge gaps, and ensuring engagement with all stakeholder groups.
Integrated pest management in western flower thrips: past, present and future
Authors: Mouden Sanae , Sarmiento Kryss Facun , Klinkhamer Peter GL , Leiss Kirsten A
Published: January 2017

Western flower thrips (WFT) is one of the most economically important pest insects of many crops worldwide. Recent EU legislation has caused a dramatic shift in pest management strategies, pushing for tactics that are less reliable on chemicals. The development of alternative strategies is therefore an issue of increasing urgency. This paper reviews the main control tactics in integrated pest management (IPM) of WFT, with the focus on biological control and host plant resistance as areas of major progress. Knowledge gaps are identified and innovative approaches emphasised, highlighting the advances in ‘omics’ technologies. Successful programmes are most likely generated when preventive and therapeutic strategies with mutually beneficial, cost‐effective and environmentally sound foundations are incorporated. © 2017 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
A Histogram Comparison Approach for Assessing Hydrologic Regime Alteration
Authors: Huang F. , Li F. , Zhang N. , Chen Q. , Qian B. , Guo L. , Xia Z.
Published: January 2017

The histogram comparison approach (HCA) is proposed to assess the alteration of hydrologic regimes, which are characterized by the hydrologic metrics, for example, the indicators of hydrologic alteration. The HCA method considers alterations within the whole range of the hydrologic regime and estimates the alteration degree by comparing the pre‐impact and post‐impact histograms. A key parameter of the HCA method is the similarity degree, which considers both the class‐by‐class and cross‐class information of histograms and reflects how many features of the pre‐impact histogram remain in the post‐impact histogram. The alteration degree is defined as the mathematical maximum similarity degree, that is, 100%, subtracted by the actual similarity degree in the HCA method. Comparing the HCA method to the existing range of variability approach and histogram matching approach through theoretical analysis and case studies, the HCA method can eliminate some limitations of the range of variability approach and histogram matching approach methods and can more accurately and effectively assess the hydrologic regime alteration. The Ob and Yangtze Rivers, which are located in different climatic zones, are used as case studies. Hydrologic regime alterations impacted by reservoirs with different regulation abilities (daily, seasonally and yearly) were assessed using the HCA method, the results of which verified its rationality and practicability. More sites with a wider range of flow variations will be examined in the future to assess the applicability of the HCA method. Copyright © 2017 John Wiley & Sons, Ltd.
Air Regulation Requirements in the Marcellus and Utica Shale Region: Management Approaches and Case Study
Authors: Seguljic Thomas S. , Martin John P.
Published: January 2017

Evolving air emissions regulation presents a serious compliance challenge for all oil and gas operators in the United States of America. In Appalachia, a legacy producing region, the rapid development of the Marcellus and Utica shales has led to a rapid expansion of operations across the states of Pennsylvania, West Virginia, and Ohio. Driven by this unprecedented development, increased public pressure, and lawsuits, new regulatory programs are being developed at both the state and federal levels. This article discusses the evolving air regulations impacting operators in the region and how operators can implement an air emissions management system to help them stay compliant.
Ecological Restoration of Coal Mine‐Degraded Lands in Dry Tropical Climate: What Has Been Done and What Needs to Be Done?
Authors: Ahirwal Jitendra , Maiti Subodh Kumar , Singh Ashok Kumar
Published: January 2017

In developed countries, ecological restoration is a widely accepted practice to restore the productivity of degraded coal mine spoils and prevent mine‐degraded sites from acting as sources of pollution. During the past decade, ecologists realized the global need for ecological restoration, and the benefit of restoration is now assessed on the basis of ecosystem services that the restored lands can provide. In this article, the knowledge gap between crude reclamation and ecological restoration is examined, the steps crucial to ecological restoration in tropical conditions are identified, and simple guidelines are given for easy understanding. Restoration issues, such as modification of the forestry restoration approach, reestablishment of biodiversity, removal and reuse of topsoil during progressive and final stages of ecological restoration, drainage, promotion of a plant‐succession‐based approach, use of a grass–legume mixture as an initial colonizer, stabilization of steep slopes, and soil blanketing, are discussed. Those attributes of a degraded ecosystem that are responsible for the success of any restoration project are critically examined, and the opportunities provided by ecological restoration are explored.