bluuebunny/crossref_metadata_2025 huggingface dataset:
Pd‐Catalyzed Z‐Selective Semihydrogenation of Alkynes: Determining the Type of Active Species
Authors: Drost Ruben M. , Rosar Vera , Marta Silvia Dalla , Lutz Martin , Demitri Nicola , Milani Barbara , de Bruin Bas , Elsevier Cornelis J.
Published: June 2015

A protocol was developed to distinguish between well‐defined molecular and nanoparticle‐based catalysts for the Pd‐catalyzed semihydrogenation reaction of alkynes to Z‐alkenes. The protocol applies quantitative partial poisoning and dynamic light scattering methods, which allow the institution of additional validation experiments. For the quantitative partial poisoning method, tetramethylthiourea (TMTU) was developed as an alternative for the standard poison ligand CS2, and was found to be superior in its applicability. The protocol and the TMTU poison ligand were validated using the well‐described [PdII(phenanthroline)]‐catalyzed copolymerization of styrene and CO, confirming that this system is clearly operating as a well‐defined molecular catalyst. The protocol was subsequently applied to three catalyst systems used for the semihydrogenation of alkynes. The first was proposed to be a molecular [Pd0(IMes)] catalyst that uses molecular hydrogen, but the data gathered for this system, following the new protocol, clearly showed that nanoparticles (NPs) are catalytically active. The second catalyst system studied was an N‐heterocyclic carbene (NHC) Pd system for transfer semihydrogenation using formic acid as the hydrogen source, which was proposed to operate through an in situ generated molecular [Pd0(IMes)] catalyst in earlier studies. The investigations showed that only a small fraction of the Pd added becomes active in the catalytic reaction and that NPs are formed. However, despite these findings, a clear distinction between catalytic activity of NPs versus a molecular catalyst could not be made. The third investigated system is based on a [PdII(IMes)(η3‐allyl)Cl] precatalyst with additive ligands. The combined data gathered for this system are multi‐interpretable, but suggest that a partially deactivated molecular catalyst dominates in this reaction.
ChemInform Abstract: Hydrochalcogenation of Symmetrical and Unsymmetrical Buta‐1,3‐diynes with Diaryl Dichalcogenides: Facile Entry to (Z)‐1‐(Organylchalcogeno)but‐1‐en‐3‐yne Derivatives.
Authors: Venkateswarlu Cheerladinne , Chandrasekaran Srinivasan
Published: June 2015

The hydrothiolation and selenation reactions allow the stereoselective and regioselective synthesis of a wide range of enynes and butadienes.
Human group3 innate lymphoid cells express DR3 and respond to TL1A with enhanced IL‐22 production and IL‐2‐dependent proliferation
Authors: Ahn Yong‐Oon , Weeres Matthew A. , Neulen Marie‐Luise , Choi Jahyang , Kang Seong‐Ho , Heo Dae Seog , Bergerson Rachel , Blazar Bruce R. , Miller Jeffrey S. , Verneris Michael R.
Published: June 2015

Death receptor 3 (DR3, TNFRSF25) is expressed by activated lymphocytes and signaling by its ligand, TL1A, enhances cytokine expression and proliferation. Recent studies show that DR3 is also present on murine type 2 innate lymphoid cells (ILC2s). Here, we show that DR3 is expressed by IL‐22‐producing human group 3 innate lymphoid cells (ILC3s). Stimulation of ILC3s with exogenous TL1A alone had no impact on cytokine production or proliferation. Addition of TL1A to IL‐1β + IL‐23 significantly enhanced the amount IL‐22 produced by ILC3s as well as the percentage IL‐22‐ and IL‐8‐producing cells. Addition of TL1A to IL‐1β + IL‐23 also augmented ILC3 proliferation. Mechanistically, this occurred through the upregulation of CD25 and responsiveness to IL‐2 stimulation. The combination of TL1A, IL‐1β+ IL‐23, and IL‐2 expanded ILC3s while IL‐1β+ IL‐23 did not increase proliferation above controls. After 2 weeks of expansion, ILC3s maintained their phenotype, transcription factor expression, and function (IL‐22 production). These findings identify DR3 as a costimulatory molecule on ILC3s that could be exploited for ex vivo expansion and clinical use.
Low‐Energy‐Gap Organic Based Acceptor–­Donor–Acceptor π‐Conjugated Small Molecules for Bulk‐Heterojunction Organic Solar Cells
Authors: Castro Edison , Cabrera‐Espinoza Andrea , Deemer Eva , Echegoyen Luis
Published: June 2015

We describe the detailed syntheses and characterization of two new electron‐donor molecules based on an acceptor–donor–acceptor (A–D–A) structure with carbazole as the electron‐rich building block, benzothiadiazole (BT) as the electron‐acceptor building block and octylrhodanine as the end group. We also examined the effects of a thiophene group as a spacer between the BT and the carbazole units on the optoelectronic, morphological and photovoltaic properties. The presence of the thiophenes has pronounced effects on both the optical and electrical properties. ECTBT, which contains thiophenes units, showed a red‐shifted absorption and a lower HOMO level compared to ECBT, which has no thiophene spacers. Optimized photovoltaic device fabrication based on ECTBT and [6,6]‐phenyl‐C70‐butyric acid methyl ester (PC71BM) in a 1:1.5 ratio (w/w) exhibited the best power conversion efficiency (PCE), at 3.26 %.
A comparative study of the modeled effects of atrazine on aquatic plant communities in midwestern streams
Authors: Nair Shyam K. , Bartell Steven M. , Brain Richard A.
Published: June 2015

Potential effects of atrazine on the nontarget aquatic plants characteristic of lower-order streams in the Midwestern United States were previously assessed using the Comprehensive Aquatic System Model (CASMATZ). Another similar bioenergetics-based, mechanistic model, AQUATOX, was examined in the present study, with 3 objectives: 1) to develop an AQUATOX model simulation similar to the CASMATZ model reference simulation in describing temporal patterns of biomass production by modeled plant populations, 2) to examine the implications of the different approaches used by the models in deriving plant community-based levels of concern (LOCs) for atrazine, and 3) to determine the feasibility of implementing alternative ecological models to assess ecological impacts of atrazine on lower-order Midwestern streams. The results of the present comparative modeling study demonstrated that a similar reference simulation to that from the CASMATZ model could be developed using the AQUATOX model. It was also determined that development of LOCs and identification of streams with exposures in excess of the LOCs were feasible with the AQUATOX model. Compared with the CASMATZ model results, however, the AQUATOX model consistently produced higher estimates of LOCs and generated non-monotonic variations of atrazine effects with increasing exposures. The results of the present study suggest an opportunity for harmonizing the treatments of toxicity and toxicity parameter estimation in the CASMATZ and the AQUATOX models. Both models appear useful in characterizing the potential impacts of atrazine on nontarget aquatic plant populations in lower-order Midwestern streams. The present model comparison also suggests that, with appropriate parameterization, these process-based models can be used to assess the potential effects of other xenobiotics on stream ecosystems. Environ Toxicol Chem 2015;34:2590–2602. © 2015 SETAC
Genome-wide identification of chromium stress-responsive micro RNAs and their target genes in tobacco (Nicotiana tabacum) roots
Authors: Bukhari Syed Asad Hussain , Shang Shenghua , Zhang Mian , Zheng Weite , Zhang Guoping , Wang Ting-Zhang , Shamsi Imran Haider , Wu Feibo
Published: June 2015

Tobacco easily accumulates certain heavy metals in leaves and thus poses a potential threat to human health. To systematically dissect Cr-responsive microRNAs (miRNAs) and their targets at the global level, 4 small RNA libraries were constructed from the roots of Cr-treated (Cr) and Cr-free (control) for 2 contrasting tobacco genotypes,Yunyan2 (Cr-sensitive) and Guiyan1 (Cr-tolerant). Using high-throughput-sequencing-technology, the authors identified 53 conserved and 29 novel miRNA families. Comparative genomic analysis of 41 conserved Cr-responsive miRNA families revealed that 11 miRNA families showed up-regulation in Guiyan1 but unaltered in Yunyan2, and 17 miRNA families were up-regulated only in Yunyan2 under Cr stress. Only 1 family, miR6149, was down-regulated in Yunyan2 but remained unchanged in Guiyan1. Of the 29 novel miRNA families, 14 expressed differently in the 2 genotypes under Cr stress. Based on a high-throughput degradome sequencing homology search, potential targets were predicted for the 41 conserved and 14 novel Cr-responsive miRNA families. Clusters of Orthologous Groups functional category analysis revealed that some of these predicted target transcripts of miRNAs are responsive to biotic and abiotic stresses. Furthermore, the expression patterns of many Cr-responsive miRNAs were validated by stem-loop real-time transcription polymerase chain reaction. The results of the present study provide valuable information and a framework for understanding the function of miRNAs in Cr tolerance. Environ Toxicol Chem 2015;34:2573–2582. © 2015 SETAC
Selection bias correction for species sensitivity distribution modeling and hazardous concentration estimation
Authors: Fox David R.
Published: June 2015

The species sensitivity distribution (SSD) has been an important development in ecotoxicology, and despite numerous concerns having been raised over many years, it remains the preferred (and often mandated) technique for establishing “safe” concentrations of contaminants in receiving water bodies by jurisdictions around the world. Although universally recognized as a crucial prerequisite for the statistical validity of the procedure, the assumption of random selection of species for SSD modeling is invariably violated. It is shown in the present study that, under very minimal assumptions, nonrandom species selection can result in hazardous concentration estimation errors of a factor of 20 or more. Importantly, if the toxicity data are biased toward the more sensitive species, then the conventional practice of using the lower confidence interval limit for the estimated hazardous concentration may be compensating in the wrong direction. Environ Toxicol Chem 2015;34:2555–2563. © 2015 SETAC
Complex contaminant mixtures in multistressor Appalachian riverscapes
Authors: Merriam Eric R. , Petty J. Todd , Strager Michael P. , Maxwell Aaron E. , Ziemkiewicz Paul F.
Published: June 2015

Runoff from watersheds altered by mountaintop mining in the Appalachian region (USA) is known to pollute headwater streams, yet regional-scale assessments of water quality have focused on salinization and selenium. The authors conducted a comprehensive survey of inorganic contaminants found in 170 stream segments distributed across a spectrum of historic and contemporary human land use. Principal component analysis identified 3 important dimensions of variation in water chemistry that were significantly correlated with contemporary surface mining (principal component 1: elevated dominant ions, sulfate, alkalinity, and selenium), coal geology and legacy mines (principal component 2: elevated trace metals), and residential development (principal component 3: elevated sodium and chloride). The combination of these 3 dominant sources of pollutants produced a complex stream-to-stream patchwork of contaminant mixtures. Seventy-five percent of headwater streams (catchments < 5 km2) had water chemistries that could be classified as either reference (49%), development only (18%), or mining only (8%). Only 21% of larger streams (catchments > 5 km2) were classified as having reference chemistries, and chemistries indicative of combined mining and development contaminants accounted for 47% of larger streams (compared with 26% of headwater streams). Extreme degradation of larger streams can be attributed to accumulation of contaminants from multiple human land use activities that include contemporary mountaintop mining, underground mining, abandoned mines, and untreated domestic wastewater. Consequently, water quality improvements in this region will require a multicontaminant remediation approach. Environ Toxicol Chem 2015;34:2603–2610. © 2015 SETAC
PI3K/AKT signaling inhibits NOTCH1 lysosome‐mediated degradation
Authors: Platonova Natalia , Manzo Teresa , Mirandola Leonardo , Colombo Michela , Calzavara Elisabetta , Vigolo Emilia , Cermisoni Greta Chiara , De Simone Daria , Garavelli Silvia , Cecchinato Valentina , Lazzari Elisa , Neri Antonino , Chiaramonte Raffaella
Published: June 2015

The pathways of NOTCH and PI3K/AKT are dysregulated in about 60% and 48% of T‐cell acute lymphoblastic leukemia (T‐ALL) patients, respectively. In this context, they interact and cooperate in controlling tumor cell biology. Here, we propose a novel mechanism by which the PI3K/AKT pathway regulates NOTCH1 in T‐ALL, starting from the evidence that the inhibition of PI3K/AKT signaling induced by treatment with LY294002 or transient transfection with a dominant negative AKT mutant downregulates NOTCH1 protein levels and activity, without affecting NOTCH1 transcription. We showed that the withdrawal of PI3K/AKT signaling was associated to NOTCH1 phosphorylation in tyrosine residues and monoubiquitination of NOTCH1 detected by Ubiquitin capture assay. Co‐immunoprecipitation assay and colocalization analysis further showed that the E3 ubiquitin ligase c‐Cbl interacts and monoubiquitinates NOTCH1, activating its lysosomal degradation. These results suggest that the degradation of NOTCH1 could represent a mechanism of control by which NOTCH1 receptors are actively removed from the cell surface. This mechanism is finely regulated by the PI3K/AKT pathway in physiological conditions. In pathological conditions characterized by PI3K/AKT hyperactivation, such as T‐ALL, the excessive AKT signaling could lead to NOTCH1 signaling dysregulation. Therefore, a therapeutic strategy directed to PI3K/AKT in T‐ALL could contemporaneously inhibit the dysregulated NOTCH1 signaling. © 2015 Wiley Periodicals, Inc.
Fault reactivation during CO2 sequestration: Effects of well orientation on seismicity and leakage
Authors: Rinaldi Antonio P. , Vilarrasa Victor , Rutqvist Jonny , Cappa Frédéric
Published: June 2015

Injection or withdrawal of fluid at depth may trigger felt seismicity. Such human‐induced seismicity is a key environmental concern related to the exploitation of natural underground resources. Thus, understanding how to avoid triggering felt earthquakes plays a crucial role in the success of underground anthropogenic activities, such as CO2 geological storage. In this work, we conduct 3D simulations of injection‐triggered fault reactivation, in order to investigate the effects of well geometry on seismic rupture and CO2 leakage. We analyze two different cases of injection, through (1) a vertical and (2) a horizontal well. Simulation results for the vertical well show the fault pressurizing faster and more locally than for the horizontal well, resulting in a smaller seismic event. For the horizontal well, the pressure is distributed over a wider area along the fault, which requires a longer time to reactivate, but results in a larger event. Fault reactivation also produces changes in damage‐zone and fault‐core permeability, allowing the CO2 to leak from the injection zone through overlying caprock, toward shallower depths. Although the calculated fault permeability enhancement is similar for the two cases, results show a slightly higher leakage rate for the vertical well in the region close to the well itself, while the leakage resulting from injection through the horizontal well is more widely distributed.Published 2015. This article is a U.S. Government work and is in the public domain in the USA.
Adult attachment style is associated with cerebral μ‐opioid receptor availability in humans
Authors: Nummenmaa Lauri , Manninen Sandra , Tuominen Lauri , Hirvonen Jussi , Kalliokoski Kari K. , Nuutila Pirjo , Jääskeläinen Iiro P. , Hari Riitta , Dunbar Robin I.M. , Sams Mikko
Published: June 2015

Human attachment behavior mediates establishment and maintenance of social relationships. Adult attachment characteristically varies on anxiety and avoidance dimensions, reflecting the tendencies to worry about the partner breaking the social bond (anxiety) and feeling uncomfortable about depending on others (avoidance). In primates and other mammals, the endogenous μ‐opioid system is linked to long‐term social bonding, but evidence of its role in human adult attachment remains more limited. We used in vivo positron emission tomography to reveal how variability in μ‐opioid receptor (MOR) availability is associated with adult attachment in humans. We scanned 49 healthy subjects using a MOR‐specific ligand [11C]carfentanil and measured their attachment avoidance and anxiety with the Experiences in Close Relationships‐Revised scale. The avoidance dimension of attachment correlated negatively with MOR availability in the thalamus and anterior cingulate cortex, as well as the frontal cortex, amygdala, and insula. No associations were observed between MOR availability and the anxiety dimension of attachment. Our results suggest that the endogenous opioid system may underlie interindividual differences in avoidant attachment style in human adults, and that differences in MOR availability are associated with the individuals’ social relationships and psychosocial well‐being. Hum Brain Mapp 36:3621–3628, 2015. © 2015 Wiley Periodicals, Inc.
MiR‐199a‐5p is negatively associated with malignancies and regulates glycolysis and lactate production by targeting hexokinase 2 in liver cancer
Authors: Guo Weijie , Qiu Zhaoping , Wang Zhichao , Wang Qifeng , Tan Ning , Chen Taoyang , Chen Zhiao , Huang Shenglin , Gu Jianren , Li Jinjun , Yao Ming , Zhao Yingjun , He Xianghuo
Published: June 2015

Cancer cells possess a unique metabolic phenotype that allows them to preferentially utilize glucose through aerobic glycolysis. This phenomenon is referred to as the “Warburg effect.” Accumulating evidence suggests that microRNAs (miRNAs), a class of small noncoding regulatory RNAs, interact with oncogenes/tumor suppressors and induce such metabolic reprograming in cancer cells. To systematically study the metabolic roles of miRNAs in cancer cells, we developed a gain‐of‐function miRNA screen in HeLa cells. Subsequent investigation of the characterized miRNAs indicated that miR‐199a‐5p acts as a suppressor for glucose metabolism. Furthermore, miR‐199a‐5p is often down‐regulated in human liver cancer, and its low expression level was correlated with a low survival rate, large tumor size, poor tumor differentiation status, high tumor‐node‐metastasis stage and the presence of tumor thrombus of patients. MicroRNA‐199a‐5p directly targets the 3′‐untranslated region of hexokinase 2 (HK2), an enzyme that catalyzes the irreversible first step of glycolysis, thereby suppressing glucose consumption, lactate production, cellular glucose‐6‐phosphate and adenosine triphosphate levels, cell proliferation, and tumorigenesis of liver cancer cells. Moreover, HK2 is frequently up‐regulated in liver cancer tissues and associated with poor patient outcomes. The up‐regulation of hypoxia‐inducible factor‐1α under hypoxic conditions suppresses the expression of miR‐199a‐5p and promotes glycolysis, whereas reintroduction of miR‐199a‐5p interferes with the expression of HK2, abrogating hypoxia‐enhanced glycolysis. Conclusion: miR‐199a‐5p/HK2 reprograms the metabolic process in liver cancer cells and provides potential prognostic predictors for liver cancer patients. (Hepatology 2015;62:1132‐1144)
Estimating groundwater discharge to surface waters using heat as a tracer in low flux environments: the role of thermal conductivity
Authors: Duque Carlos , Müller Sascha , Sebok Eva , Haider Kinza , Engesgaard Peter
Published: June 2015

Analytical modelling of heat transport was used to address effects of uncertainty in thermal conductivity on groundwater–surface water exchange. In situ thermal conductivities and temperature profiles were measured in a coastal lagoon bed where groundwater is known to discharge. The field site could be divided into three sediment zones where significant spatial changes in thermal conductivity on metre to centimetre scale show that spatial variability connected to the sediment properties must be considered. The application of a literature‐based bulk thermal conductivity of 1.84 Wm−1 °C−1, instead of field data that ranged from 0.62 to 2.19 W m−1 °C−1, produced a mean overestimation of 2.33 cm d−1 that, considering the low fluxes of the study area, represents an 89% increase and up to a factor of 3 in the most extreme cases. Incorporating the uncertainty due to sediment heterogeneities leads to an irregular trend of the flux distribution from the shore towards the lagoon. The natural variability of the thermal conductivity associated with changes in the sediment composition resulted in a mean variation of ±0.66 cm d−1 in fluxes corresponding to a change of ±25.4%. The presence of organic matter in the sediments, a common situation in the near‐shore areas of surface water bodies, is responsible for the decrease of thermal conductivity. The results show that the natural variability of sediment thermal conductivity is a parameter to be considered for low flux environments, and it contributes to a better understanding of groundwater–surface water interactions in natural environments. Copyright © 2015 John Wiley & Sons, Ltd.
Variation in Total Energy Expenditure in Humans
Authors: Goran Michael I.
Published: June 2015

The purpose of this paper is to review current data regarding the factors contributing to variability in total energy expenditure (TEE) among humans. Variation arising from within and between individuals and between study groups will be considered. For within‐ subject variation, issues relating to experimental and theoretical measurement error will be considered in addition to inherent physiological variation. The literature reporting TEE in various study groups is reviewed, highlighting deficiencies in current comparison methods, and a framework by which TEE can be compared between studies and populations is suggested. For between‐subject variation, the effects of differences in body composition, obesity, age and gender upon variation in TEE are examined. Finally, data will be reviewed relating to changes in TEE in response to external manipulation (e.g., activity, overfeeding, stress).
Regional aspects of future precipitation and meteorological drought characteristics over Southern South America projected by a CMIP5 multi‐model ensemble
Authors: Penalba Olga Clorinda , Rivera Juan Antonio
Published: June 2015

This article addresses the regional impacts of climate change on precipitation and meteorological drought over Southern South America (SSA) through a CMIP5 multi‐model ensemble based on 15 General Circulation Models (GCMs) forced under two different greenhouse gas concentration pathways (RCP4.5 and RCP8.5). An assessment of the biases in the representation of the precipitation annual cycle was performed over the 1979–2008 period over five regions within SSA, based on a comparison between the GCMs precipitation outputs with the Global Precipitation Climatology Centre (GPCC) dataset. The multi‐model ensemble well reproduces the shape of the annual cycle of precipitation over most of SSA, although the monthly totals were overestimated (underestimated) over the North‐West and South (North‐East and Central‐East) regions. Changes in precipitation and meteorological drought characteristics were identified by the difference for early (2011–2040) and late (2071–2100) 21st century values with respect to the 1979–2008 baseline, using the standardized precipitation index as a short‐ and long‐term drought indicator. Future climate conditions are expected to modify the regional characteristics of meteorological droughts over SSA, but the range of uncertainty in the expected changes is high. A significant increase in the number of drought events in all the regions for most of the 21st century sub‐periods is projected for the multi‐model ensemble. The mean duration of drought events will be shorter, with no significant changes in the severity of droughts and the occurrence of multi‐decadal changes in the number of critical dry months is likely, although the significance in the changes depends on the region, future time horizon and greenhouse gas concentration pathways. These results overlap with a projected increase in precipitation over most of the regions, which has a strong seasonality and, therefore, will have some implications upon the future meteorological drought developments and the agricultural and hydrological practices in SSA.
Size‐dependent evolution of phonon confinement in colloidal Si nanoparticles
Authors: Zhang Pengfei , Feng Yu , Anthony Rebecca , Kortshagen Uwe , Conibeer Gavin , Huang Shujuan
Published: June 2015

A size‐dependent evolution of phonon confinement is revealed in Si nanoparticles (NPs) via Raman spectroscopy. By introducing a variable confinement factor, α, into a well‐known phenomenological phonon confinement model (PCM) developed by Richter et al., acceptable fits are achieved to downshifted and asymmetrically broadened Raman spectra of Si NPs with different diameters, d, from 2.4 nm to 6.3 nm. A comparative study using Raman spectra of colloidal Si NPs, for the first time, shows an apparent positive linear correlation between α and the Si NP size. Based on the PCM, the amplitude of the atomic vibration (phonon) at the real physical boundary of NPs is proportional to e−α/2, which indicates that the amplitude of the first order optical phonon is relatively larger at the edges for smaller Si nanostructures despite of their stronger phonon confinement weighed by α/d2. Copyright © 2015 John Wiley & Sons, Ltd.
A Kinetic Study for the Noncatalytic Esterification of Palm Fatty Acid Distillate
Authors: Hong Seok Won , Cho Hyun Jun , Kim Jin‐Kuk , Ahmed Faisal , Yeo Yeong‐Koo
Published: June 2015

In this work, the reaction scheme for the esterification of palm fatty acid distillate performed under the noncatalytic and high‐temperature condition (230–290°C) was investigated with a rigorous mathematical modeling. The esterification reaction was assumed to be the pseudo–homogeneous second‐order reversible reaction, and the mass transfer effectiveness factor (η) was introduced in the modeling framework to systematically and collectively consider both evaporation and reaction, which are simultaneously and competitively occurred in the liquid phase. The nonlinear programming problem was constructed with the objective function consisting of the errors between experimental data and the estimated values from the reaction model. The problem was solved by using the Nelder–Mead simplex algorithm to identify kinetic parameters, reaction rate constants, and mass transfer coefficients. The values of mass transfer coefficients were found to follow the Hertz–Knudsen relation and expressed as a function of reaction temperature. From the reaction rate constants obtained from the proposed kinetic models, the apparent activation energy was estimated to be 43.98 kJ/mol, which is lower than the value obtained from the reaction using heterogeneous catalysts. This low value indicates that reactants and products behave as an acid catalyst at relatively high operating temperature and constant pressure.
Localized thermal tumor destruction using dye‐enhanced photothermal tumor therapy
Authors: Diddens‐Tschoeke Heyke C. , Hüttmann Gereon , Gruber Achim D. , Pottier Roy H. , Hanken Henning
Published: June 2015

Background and Objective

In an attempt to develop a new therapeutic approach for highly localized thermal destruction of tissue targets that lack natural pigmentation, the potential of in‐vivo dye‐enhanced photothermal therapy (PTT) was investigated. PTT involves the application of an exogenous absorber, which accumulates in metabolically active tissues, followed by non‐invasive light irradiation, using appropriate wavelengths, exposure durations, and irradiances. The chromophore used, palladium(II) octabutoxynaphthalocyanine (PdNc(OBu)8), strongly absorbs in the near infrared wavelength range which thus permits good penetration depth of the exciting light. The predominant de‐excitation routes of the chromophore are radiationless thermal processes.

Materials and Methods

Using a BALB/c mouse model with a subcutaneously implanted syngeneic EMT6 adenocarcinoma, 96–100 hours after intraperitoneal application of PdNc(OBu)8, tumor, and surrounding tissue were irradiated with a 830 nm continuous wave diode laser applying 30 Wcm−2 for 10–20 seconds. Treatment parameters were based on theoretical calculations.

Results

Histological evaluation of thermal effects on tumor and normal tissue showed that after PdNc(OBu)8‐enhanced photothermal treatment, highly localized and selective thermal damage of the tumors was achieved. The necrotic tumor area was invaded by inflammatory cells, including neutrophils, macrophages, mast cells, and lymphocytes, thus reflecting a prominent host immune response. In tumors treated with PTT for 15 or 20 seconds, respectively, only few surviving tumor cells were detected underneath the epidermis. Adjacent peripheral normal tissue including skin and muscle remained completely unaffected.

Conclusion

This study highlights the potential of achieving irreversible thermal tissue damage closely localized to the target tissue when PdNc(OBu)8 is used in combination with continuous‐wave light. Lasers Surg. Med. 47:452–461, 2015. © 2015 Wiley Periodicals, Inc.
Core‐Shell Hybrid Particles by Alternating Copolymerization of Ionic Liquid Monomers from Silica as Sorbent for Solid Phase Microextraction
Authors: Rahman Mohammed Mizanur , Barajas Xochitli L. Osorio , Luján Jacobo L. Hermosillo , Jochmann Maik A. , Mayer Christian , Schmidt Torsten C.
Published: June 2015

Multifunctional ionic liquid monomer (1) was synthesized from 1‐vinylimidazole and 2‐acrylamido‐2‐methylpropane sulphonic acid (AMPS) and alternately copolymerized from 3‐mercaptopropyltrimethoxysilane grafted silica core (2) to obtain hybrid core‐shell particles Sil‐PIL.1. Elemental analysis and 13C CP/MAS results confirmed that the ionic monomers retained the alternation after grafting on silica surface, which make it a promising candidate as sorbent for trapping analytes from aqueous and other samples for solventless microextraction processes. The material demonstrated excellent extraction efficiency for low molecular weight polar compounds and the peak areas for derivatized aldehydes can be increased up to 200 times in comparison with a commercial polydimethylsiloxane (PDMS) sorbent.
Lived Experiences of Sex Life Difficulties in Men and Women with Early RA – The Swedish TIRA Project
Authors: Östlund Gunnel , Björk Mathilda , Valtersson Eva , Sverker Annette
Published: June 2015

Background

Men and women with rheumatoid arthritis (RA) experience restrictions in everyday life, in spite of the development of new medications. Recent research has described in detail how participation limitations are experienced in everyday life from a patient perspective. However, knowledge of how sex and intimate relationships are affected is still scarce.

Objectives

The aim of the present study was to explore sex life experiences in relation to sexual function and sexual relationships in men and women with early RA.

Methods

The study formed part of TIRA‐2 (the Swedish acronym for the prospective multicentre early arthritis project). The data collection included 45 interviews with 21 men and 24 women, aged 20–63, which were recorded and transcribed verbatim. The critical incident technique was used to collect data, and content analysis to categorize the results.

Results

Half the participants stated that RA affected their sex life. The general descriptions formed five categories: sex life and tiredness; sex life and ageing; emotional consequences of impaired sexual function; facilitators of sexual function and sexual relationships; and strain on the sexual relationship.

Conclusions

Sex life is affected in early RA, in spite of new effective treatment strategies. New strategies of communication, assessment and self‐managing interventions concerning the sex lives of patients with RA need to be implemented by a multidisciplinary healthcare team. Copyright © 2015 John Wiley & Sons, Ltd.
Neuromuscular complications of hematopoietic stem cell transplantation
Authors: Ruzhansky Katherine M. , Brannagan Thomas H
Published: June 2015

Neuromuscular diseases such as polymyositis, dermatomyositis, peripheral neuropathy, and disorders of neuromuscular transmission are reported to be complications of hematopoietic stem cell transplantation (HSCT). Although cases have been reported with allogeneic HSCT in the setting of chronic graft versus host disease, they are also known to occur without evidence thereof and even occur in the setting of autologous HSCT. The 2005 National Institutes of Health Consensus Criteria classify polymyositis and dermatomyositis as “distinctive” features, and neuropathy and MG as “other” features. These neuromuscular complications present very similarly to the idiopathic autoimmune disorders and respond to similar treatment modalities. Muscle Nerve, 2015 Muscle Nerve 52: 480–487, 2015
Expanding the yeast protein arginine methylome
Authors: Plank Michael , Fischer Roman , Geoghegan Vincent , Charles Philip D. , Konietzny Rebecca , Acuto Oreste , Pears Catherine , Schofield Christopher J. , Kessler Benedikt M.
Published: June 2015

Protein arginine methylation is a PTM involved in various cellular processes in eukaryotes. Recent discoveries led to a vast expansion of known sites in higher organisms, indicating that this modification is more widely spread across the proteome than previously assumed. An increased knowledge of sites in lower eukaryotes may facilitate the elucidation of its functions. In this study, we present the discovery of arginine mono‐methylation sites in Saccharomyces cerevisiae by a combination of immunoaffinity enrichment and MS/MS. As detection of methylation is prone to yield false positives, we demonstrate the need for stringent measures to avoid elevated false discovery rates. To this end, we employed MethylSILAC in combination with a multistep data analysis strategy. We report 41 unambiguous methylation sites on 13 proteins. Our results indicate that, while substantially less abundant, arginine methylation follows similar patterns as in higher eukaryotes in terms of sequence context and functions of methylated proteins. The majority of sites occur on RNA‐binding proteins participating in processes from transcription and splicing to translation and RNA degradation. Additionally, our data suggest a bias for localization of arginine methylation in unstructured regions of proteins, which frequently involves Arg‐Gly‐Gly motifs or Asn‐rich contexts.
Pressure‐volume‐temperature and glass transition behavior of silica/polystyrene nanocomposite
Authors: Tao Ran , Simon Sindee L.
Published: June 2015

The pressure‐volume‐temperature (PVT) behavior and glass transition behavior of a 10 wt % silica nanoparticle‐filled polystyrene (PS) nanocomposite sample are measured using a custom‐built pressurizable dilatometer. The PVT data are fitted to the Tait equation in both liquid and glassy states; the coefficient of thermal expansion α, bulk modulus K, and thermal pressure coefficient γ are examined as a function of pressure and compared to the values of neat PS. The glass transition temperature (Tg) is reported as a function of pressure, and the limiting fictive temperature (Tf′) from calorimetric measurements is reported as a function of cooling rate. Comparison with data for neat PS indicates that the nanocomposite has a slightly higher Tg at elevated pressures, higher bulk moduli at all pressures studied, and its relaxation dynamics are more sensitive to volume. The results for the glassy γ values suggest that thermal residual stresses would not be reduced for the nanocomposite sample studied. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015, 53, 1131–1138
G protein‐coupled odorant receptors: From sequence to structure
Authors: de March Claire A. , Kim Soo‐Kyung , Antonczak Serge , Goddard William A. , Golebiowski Jérôme
Published: June 2015

Odorant receptors (ORs) are the largest subfamily within class A G protein‐coupled receptors (GPCRs). No experimental structural data of any OR is available to date and atomic‐level insights are likely to be obtained by means of molecular modeling. In this article, we critically align sequences of ORs with those GPCRs for which a structure is available. Here, an alignment consistent with available site‐directed mutagenesis data on various ORs is proposed. Using this alignment, the choice of the template is deemed rather minor for identifying residues that constitute the wall of the binding cavity or those involved in G protein recognition.
A 3D‐RISM/RISM study of the oseltamivir binding efficiency with the wild‐type and resistance‐associated mutant forms of the viral influenza B neuraminidase
Authors: Phanich Jiraphorn , Rungrotmongkol Thanyada , Sindhikara Daniel , Phongphanphanee Saree , Yoshida Norio , Hirata Fumio , Kungwan Nawee , Hannongbua Supot
Published: June 2015

The binding affinity of oseltamivir to the influenza B neuraminidase and to its variants with three single substitutions, E119G, R152K, and D198N, is investigated by the MM/3D‐RISM method. The binding affinity or the binding free energy of ligand to receptor was found to be determined by a subtle balance of two major contributions that largely cancel out each other: the ligand‐receptor interactions and the dehydration free energy. The theoretical results of the binding affinity of the drug to the mutants reproduced the observed trend in the resistivity, measured by IC50; the high‐level resistance of E119G and R152K, and the low‐level resistance of D198N. For E119G and R152K, reduction of the direct drug‐target interaction, especially at the mutated residue, is the main source of high‐level oseltamivir resistance. This phenomenon, however, is not found in the D198N strain, which is located in the framework of the active‐site.
Impact of bismuth incorporation into (Ga,Mn)As thin films on their structural and magnetic properties
Authors: Levchenko K. , Andrearczyk T. , Domagala J. Z. , Wosinski T. , Figielski T. , Sadowski J.
Published: June 2015

Structural and magnetic properties of thin films of the (Ga,Mn)(Bi,As) quaternary diluted magnetic semiconductor grown by the low‐temperature molecular‐beam epitaxy technique on GaAs substrates have been investigated. High‐resolution X‐ray diffraction has been applied to characterize the structural quality and misfit strain in the films. Ferromagnetic Curie temperature and magneto‐crystalline anisotropy of the films have been examined by using SQUID magnetometry and low‐temperature magneto‐transport measurements. Post‐growth annealing treatment of the films has been shown to reduce the strain in the films and to enhance their Curie temperature. Significant increase in the magnitude of magneto‐transport effects caused by incorporation of a small amount of Bi into the films is interpreted as a result of enhanced spin‐orbit coupling in the (Ga,Mn)(Bi,As) films. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Two‐energy‐scale model for description of the thermal quenching of photoluminescence in disordered Ga(As,Bi)
Authors: Shakfa M. K. , Wiemer M. , Ludewig P. , Jandieri K. , Volz K. , Stolz W. , Baranovskii S. D. , Koch M.
Published: June 2015

The thermal quenching of the photoluminescence (PL) intensity in Ga(As,Bi)/GaAs heterostructures is studied experimentally and theoretically. We observed an anomalous plateau in the PL thermal quenching at intermediate temperatures under low excitation conditions. Our theoretical analysis based on a well‐approved theoretical approach shows that this peculiar behavior of the temperature‐dependent PL intensity cannot be interpreted assuming a single‐scale monotonously energy‐dependent density of localized states (DOS). Experimental data clearly point at a non‐monotonous DOS with at least two energy scales. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
“Not what it used to be”: Schemas of class and contradiction in the Great Recession
Authors: Jefferson Anna
Published: June 2015

The U.S. housing crisis and Great Recession (2007–9) significantly exacerbated 40 years of rising inequality in America. Widespread concern about the “struggling middle class” epitomizes Americans' anxiety about inequality and the country's claim to great nationhood. This article provides ethnographically grounded analysis of the restructuring of class experiences and discourses in Michigan in 2009 and 2010, from the perspectives of homeowners facing foreclosure and of nonprofit housing counselors who mediate between homeowners and their banks. First I examine homeowners' downward mobility, then I turn to all participants' analyses of the American class system. Most homeowners facing foreclosure emphasized their fall from the middle class to poverty or an in‐between status like “middle working poor.” Such complex self‐locations are not only about class shame or the inadequacy of American class discourse; they are also about maintaining citizenship status. When Michiganders identify as “middle working poor” and other permutations, they struggle to reconcile downward mobility with claims to current rights and their own history as the emblem of the American middle class. Homeowners and housing counselors also tied current class polarization to the long‐term decline of the manufacturing economy and American greatness. Their perception that being middle class is “not what it used to be” underscores the ongoing importance of the mid‐20th century to definitions of the middle class as financially secure. These experiences show simultaneous angst over and normalization of inequality. Because of the centrality of middle‐classness to affirmative citizenship in the United States, the hollowing out of the middle class is experienced as a citizenship of lack and contradiction.
Inequalities beyond the Gini: Subsistence, social structure, gender, and markets in southwestern Madagascar
Authors: Tucker Bram , Lill Elaina , Tsiazonera  , Tombo Jaovola , Lahiniriko Rolland , Rasoanomenjanahary Louinaise , Razafindravelo Pirette Miza , Tsikengo Jean Roger
Published: June 2015

Development economists typically apply the same measures of inequality to the Global South as capitalist economies, such as Gini coefficients calculated over cash earnings (income) or asset value (wealth). Yet many rural peoples straddle the market economy of cash and wages and the nonmarket economy of gifts and obligations. We examine inequality in the context of Masikoro farmers, Mikea forager‐farmers, and Vezo marine fishers of rural southwestern Madagascar, using quantitative analyses (Gini scores) and qualitative ethnography (village case studies). Gini coefficients indicate greater inequality for cash income rather than total production, for cash income Gini scores confound income inequality with market dependency, and Gini coefficients indicate greater inequality over individuals rather than households, for the latter scale masks gendered inequality. Among farmers and fishers, inequality may occur due to monopolization of the means of production, but only if private property norms replace traditional redistributive and democratizing institutions. Inequality among Mikea foragers results from friction with nonforaging neighbors. Women may experience greater equality relative to men when the foraging ecology favors their subsistence contributions. Inequality varies in degree, form, and experience; economic inequality cannot be divorced from social and political inequality.
Single‐phase TiO2formation by plasma oxidation of titanium thin films
Authors: Rukade Deepti A. , Bhattacharyya Varsha
Published: June 2015

Synthesis of titanium oxide film by plasma oxidization of the metallic films is investigated. Argon/oxygen gas mixture in the pressure range 30 × 10−2 mbar is used for plasma processing at a frequency of 250 kHz. The plasma‐oxidized films are annealed in a tube furnace in argon atmosphere to establish crystalline‐phase formation. X‐ray diffraction and Raman spectroscopic results manifest peaks corresponding to rutile TiO2. Ultraviolet‐Visible (UV‐Vis) spectroscopic analysis confirms the bandgap of rutile TiO2, and photoluminescence spectra exhibit peaks due to oxygen defects. Homogeneity across the film's thickness and the nature of the film substrate interface is studied by depth profiling acquired using secondary ion mass spectrometry. Copyright © 2015 John Wiley & Sons, Ltd.
Development of a New Concept for Hot‐Rolled Weathering–DP Steel: Thermo‐mechanical Simulation, Microstructure Adjustment, and Mechanical Properties
Authors: Allam Tarek , Bleck Wolfgang
Published: June 2015

A new alloying concept is proposed to develop a hot‐rolled weathering steel with a dual‐phase microstructure in order to combine good anticorrosion and good forming properties. The chemical composition in wt% comprises 0.11C, 0.5 Si, 1.52 Mn, 0.055 P, 0.4 Cr, 0.3 Ni, and 0.3 Cu. The phase transformation behavior is investigated by means of continuous cooling transformation diagrams. Different cooling strategies are applied in thermo‐mechanical simulation experiments for proper adjustment of the dual‐phase microstructure. The laboratory‐scale processing parameters are transferred to a pilot hot rolling plant. The hot‐rolled sheets are characterized by tensile testing and quantitative metallography. The produced hot‐rolled steel sheets consist of a microstructure with 71 vol% ferrite, 2 vol% pearlite, and 27 vol% martensite achieving average mechanical properties of 375 MPa for Rp0.2, 740 MPa for Rm, and 14% for A50. A delayed ferrite transformation makes step cooling unnecessary and enables easy processing by continuous cooling after hot rolling. The tendency to microstructural banding decreases as the cooling rate increases.