bluuebunny/crossref_metadata_2025 huggingface dataset:
Theoretical evidence for bond stretch isomerism in Grubbs olefin metathesis
Authors: Remya Premaja R. , Suresh Cherumuttathu H.
Published: April 2017

A comprehensive density functional theory study on the dissociative and associative mechanisms of Grubbs first and second generation olefin metathesis catalysis reveals that ruthenacyclobutane intermediate (RuCB) observed in the Chauvin mechanism is not unique as it can change to a non‐metathetic ruthenacyclobutane (RuCB′) via the phenomenon of bond stretch isomerism (BSI). RuCB and RuCB′ differ mainly in RuCα, RuCβ, and CαCβ bond lengths of the metallacycle. RuCB is metathesis active due to the agostic type bonding‐assisted simultaneous activation of both CαCβ bonds, giving hypercoordinate character to Cβ whereas an absence of such bonding interactions in RuCB′ leads to typical CC single bond distances and metathesis inactivity. RuCB and RuCB′ are connected by a transition state showing moderate activation barrier. The new mechanistic insights invoking BSI explains the non‐preference of associative mechanism and the requirement of bulky ligands in the Grubbs catalyst design. The present study lifts the status of BSI from a concept of largely theoretical interest to a phenomenon of intense importance to describe an eminent catalytic reaction. © 2017 Wiley Periodicals, Inc.
NAP counteracts hyperglycemia/hypoxia induced retinal pigment epithelial barrier breakdown through modulation of HIFs and VEGF expression
Authors: D'Amico Agata G. , Maugeri Grazia , Rasà Daniela M. , La Cognata Valentina , Saccone Salvatore , Federico Concetta , Cavallaro Sebastiano , D'Agata Velia
Published: April 2017

Diabetic macular edema (DME) is a common complication leading to a central vision loss in patients with diabetes. In this eye pathology, the hyperglycaemic/hypoxic microenvironment of pigmented epithelium is responsible for outer blood retinal barrier integrity changes. More recently, we have shown that a small peptide derived from the activity‐dependent neuroprotective protein (ADNP), known as NAP, counteracts damages occurring during progression of diabetic retinopathy by modulating HIFs/VEGF pathway. Here, we have investigated for the first time the role of this peptide on outer blood retinal barrier (BRB) integrity exposed to hyperglycaemic/hypoxic insult mimicking a model in vitro of DME. To characterize NAP role on disease's pathogenesis, we have analyzed its effect on HIFs/VEGF system in human retinal pigmented epithelial cells, ARPE‐19, grown in high glucose and low oxygen tension. The results have shown that NAP prevents outer BRB breakdown by reducing HIF1α/HIF2α, VEGF/VEGFRs, and increasing HIF3α expression, moreover it is able to reduce the percentage of apoptotic cells by modulating the expression of two death related genes, BAX and Bcl2. Further investigations are needed to determine the possible use of NAP in DME treatment.
WNT4 acts downstream of BMP2 to mediate the regulation of ATRA signaling on RUNX1 expression: Implications for terminal differentiation of antler chondrocytes
Authors: Zhang Hong‐Liang , Yang Zhan‐Qing , Duan Cui‐Cui , Geng Shuang , Wang Kai , Yu Hai‐Fan , Yue Zhan‐Peng , Guo Bin
Published: April 2017

Although ATRA is involved in regulating the proliferation and differentiation of chondrocytes, its underlying mechanism remains unknown. Here we showed that ATRA could stimulate the proliferation of antler chondrocytes and expression of COL X and MMP13 which were two well‐known markers for hypertrophic chondrocytes. Silencing of CRABP2 prevented the induction of ATRA on chondrocyte terminal differentiation, while overexpression of CRABP2 exhibited the opposite effects. CYP26A1 and CYP26B1 weakened the sensitivity of antler chondrocytes to ATRA. Further analysis evidenced that ATRA might induce chondrocyte terminal differentiation and modulate the expression of BMP2, WNT4, and RUNX1 through RARα/RXRα. Knockdown of BMP2 enhanced the induction of ATRA on the expression of COL X and MMP13, whereas overexpression of BMP2 abrogated this effectiveness. WNT4 might mediate the effects of ATRA and BMP2 on chondrocyte terminal differentiation. Dysregulation of BMP2 impaired the regulation of ATRA on WNT4 expression. Administration of ATRA to antler chondrocytes transfected with RUNX1 siRNA failed to induce the differentiation. Conversely, rRUNX1 strengthened the stimulation of ATRA on the expression of COL X and MMP13. Simultaneously, RUNX1 was a downstream effector of BMP2 and WNT4 in chondrocyte terminal differentiation. Moreover, WNT4 might play an important role in the crosstalk between BMP2 and RUNX1. Attenuation of BMP2 or WNT4 enhanced the interaction between ATRA and RUNX1, while constitutive expression of BMP2 or WNT4 reversed the regulation of ATRA on RUNX1. Collectively, WNT4 may act downstream of BMP2 to mediate the effects of ATRA on the terminal differentiation of antler chondrocytes through targeting RUNX1.
Statistical‐dynamical downscaling of precipitation for Vietnam: methodology and evaluation for the recent climate
Authors: Schubert David , van der Linden Roderick , Reyers Mark , Fink Andreas H. , Massmeyer Klaus , Pinto Joaquim G.
Published: April 2017

ABSTRACT

Precipitation over Southeast Asia is primarily controlled by the Southeast Asian monsoon system. This area features complex orography and morphology, and has limited surface precipitation observations. In this study, a statistical‐dynamical downscaling approach that combines weather typing and dynamical downscaling is developed to obtain a high‐resolution precipitation climatology for tropical Southeast Asia. A transient simulation with the regional climate model COSMO‐CLM (COnsortium for Small Scale MOdelling‐Climate Limited‐area Modelling Community) driven by ERA‐Interim (1979–2008) is performed for the study region. Focussing on Vietnam, six weather types (WTs) are selected for the Indochina Peninsula during the wet season (April to October) using a k‐means cluster approach on daily 850 and 200 hPa zonal wind components from ERA‐Interim reanalysis. The six WTs can be physically interpreted as different stages of the seasonal progression of the planetary‐scale monsoon circulation. For each WT, selected representatives from the COSMO‐CLM run are dynamically downscaled to a resolution of 0.0625° × 0.0625° (∼7 km). Using the present‐day WT frequencies, the simulated COSMO‐CLM representatives at 7 km are recombined to a high‐resolution rainfall climatology for the recent decades. The resulting high‐resolution precipitation climatology is generally able to capture the present‐day precipitation estimates derived from APHRODITE (Asian Precipitation – Highly Resolved Observational Data Integration Towards Evaluation of Water Resources) and station data. In spite of systematic biases our approach provides a valuable tool to obtain more robust regional climate change projections for the study area.
The role of intraseasonal variability at mid‐high latitudes in regulating Pacific blockings during boreal winter
Authors: Yang Shuangyan , Li Tim
Published: April 2017

By using daily National Centers for Environmental Prediction‐Department of Energy reanalysis data from 1979 to 2015, we investigated the connection between Pacific blockings and mid‐high latitude atmospheric intraseasonal oscillation (ISO) at 500 hPa in boreal winter. The ISO perturbation over a key area of 150°E–155°W, 60°–75°N is most co‐variated with Pacific blockings. The averaged geopotential height over this key area exhibits a statistically significant 10–35‐day periodicity. The ISO perturbation associated with the Pacific blocking activity shows pronounced westward propagation. The perturbation initiates at about 120°W, triggered by intraseasonal wave energy accumulation. A geopotential tendency diagnosis reveals that the time change rate of the geopotential height over the key area is primarily attributed to the advection of planetary vorticity by the ISO meridional flow. A mechanism is put forward in which the westward‐propagating ISO perturbations induce a blocking over the Pacific sector. When a strong northward ISO flow arrives in the key area, it acts against the gradient of planetary vorticity, leading to a negative vorticity advection. This negative advection tends to strengthen local anticyclonic vorticity and geopotential height anomalies. Thus, the westward‐propagating ISO meridional flow plays an active role in inducing the low‐frequency blocking activity over the Pacific sector.
Laboratory vs. in situ resin‐core methods to estimate net nitrogen mineralization for comparison of rotation and tillage practices
Authors: Zou Congming , Pearce Robert C. , Grove John H. , Coyne Mark S.
Published: April 2017

Properly estimating soil nitrogen (N) mineralization as a consequence of different agronomic practices would result in better soil N fertility management. In this study, we tested the differences between laboratory and in situ resin‐core incubation methods for estimating soil net N mineralization for long‐term burley tobacco (Nicotiana tobacum L.) tillage and rotation systems. The laboratory incubation method used crushed, homogenized, litter‐free soil samples, and the in situ resin‐core incubation method used an intact soil core with the inclusion of any plant residue below or above ground. Comparisons showed that no‐tillage had significantly increased soil net N mineralization compared to conventional tillage with the laboratory incubation method, while there was no significant difference between tillage methods with the in situ resin‐core method. This indicates that soil pretreatment in the laboratory incubation method can create an “artificial tillage effect” for soil previously managed with no‐tillage, resulting in overestimated soil net N mineralization. The rotation comparison showed that different crop sequences had no impact on measured net N mineralization with the laboratory incubation method. However, a preceding soybean crop did significantly increase net soil N mineralization compared to preceding corn when measured with the in situ resin‐core method. This suggests that discarding plant residue in the laboratory incubation method can neglect the potential effect of plant residue on soil N mineralization. Therefore, it is important to be aware that soil pretreatment may influence soil N mineralization estimates, potentially resulting in flawed decisions for soil N fertility management.
Synergistic use of biochar, compost and plant growth‐promoting rhizobacteria for enhancing cucumber growth under water deficit conditions
Authors: Nadeem Sajid M , Imran Muhammad , Naveed Muhammad , Khan Muhammad Y , Ahmad Maqshoof , Zahir Zahir A , Crowley David E
Published: April 2017

BACKGROUND

Limited information is available about the effectiveness of biochar with plant growth‐promoting rhizobacteria (PGPR) and compost. A greenhouse study was conducted to evaluate the effect of biochar in combination with compost and PGPR (Pseudomonas fluorescens) for alleviating water deficit stress. Both inoculated and un‐inoculated cucumber seeds were sown in soil treated with biochar, compost and biochar + compost. Three water levels – field capacity (D0), 75% field capacity (D1) and 50% field capacity (D2) – were maintained.

RESULTS

The results showed that water deficit stress significantly suppressed the growth of cucumber; however, synergistic use of biochar, compost and PGPR mitigated the negative impact of stress. At D2, the synergistic use of biochar, compost and PGPR caused significant increases in shoot length, shoot biomass, root length and root biomass, which were respectively 88, 77, 89 and 74% more than in the un‐inoculated control. Significant improvements in chlorophyll and relative water contents as well as reduction in leaf electrolyte leakage demonstrated the effectiveness of this approach. Moreover, the highest population of P. fluorescens was observed where biochar and compost were applied together.

CONCLUSION

These results suggest that application of biochar with PGPR and/or compost could be an effective strategy for enhancing plant growth under stress. © 2017 Society of Chemical Industry
Oxidative behavior of (+)‐catechin in the presence of inactive dry yeasts: a comparison with sulfur dioxide, ascorbic acid and glutathione
Authors: Comuzzo Piergiorgio , Toniolo Rosanna , Battistutta Franco , Lizee Marion , Svigelj Rossella , Zironi Roberto
Published: April 2017

BACKGROUND

The antioxidant capacity of an inactive dry yeast preparation (YD) was investigated by conventional analytical methods (spectrophotometry, high‐performance liquid chromatography) as well as by cyclic voltammetry in a (+)‐catechin model wine and compared with that of some of the most common antioxidants found in wine: sulfur dioxide, ascorbic acid and glutathione.

RESULTS

Sulfur dioxide was the highest‐performing substance in protecting (+)‐catechin against browning, followed by ascorbic acid and the YD preparation. Sulfites were the only antioxidant whose activity was clearly detectable in the model wines after 29 days of storage. Voltammetric studies demonstrated that the antioxidant capacity of the products tested was connected to their intrinsic characteristics and their molar concentrations (catechin/antioxidant molar ratio).

CONCLUSION

The YD preparation displayed a certain ability to protect polyphenols against browning. The antioxidant activity of YDs towards (+)‐catechin appeared to be based on different mechanisms with respect to that of the other products tested: the insoluble portion of these preparations (cell wall residues) might have a non‐negligible role, even if the ability of YDs to release compounds able to suppress oxidation cannot be rejected. Direct comparison of the different antioxidants led to interesting indications concerning their mechanism of action in wine‐like solution, depending on their concentration and intrinsic characteristics. © 2017 Society of Chemical Industry
4,4′‐Dichlorodiphenyltrichloroethane (DDT) and 4,4′‐dichlorodiphenyldichloroethylene (DDE) inhibit myogenesis in C2C12 myoblasts
Authors: Kim Jonggun , Park Min Young , Kim Yoo , Yoon Kyong Sup , Clark John Marshall , Park Yeonhwa , Whang Kwang‐Youn
Published: April 2017

BACKGROUND

Most countries have banned the use of 4,4′‐dichlorodiphenyltrichloroethane (DDT). However, owing to its extremely high lipophilic characteristics, DDT and its metabolite 4,4′‐dichlorodiphenyldichloroethylene (DDE) are ubiquitous in the environment and in many types of food. The positive correlation between exposure to insecticides, including DDT and DDE, and weight gain, resulting in impaired energy metabolism in offspring following perinatal DDT and DDE exposure, was previously reported. Therefore the influence of DDT and DDE on myogenesis using C2C12 myoblasts was investigated in this study.

RESULTS

DDT and DDE decreased myotube formation dose‐ and time‐dependently. Among myogenic regulatory factors, DDT and DDE mainly decreased MyoD1 and Myf5 expression. DDT and DDE treatment also altered Myostatin expression, phosphorylation of protein kinase B, p70 ribosomal protein S6 kinase, forkhead box O protein 3 and mammalian target of rapamycin, resulting in attenuation of myotube formation.

CONCLUSION

These results may have significant implications for understanding the effects of developmental exposure of DDT and DDE on myogenesis and development of obesity and type 2 diabetes later in life. © 2017 Society of Chemical Industry
Dispersive liquid–liquid microextraction as an effective preanalytical step for the determination of estradiol in human urine
Authors: Kupcová Elena , Reiffová Katarína
Published: April 2017

In this work, a fast and effective dispersive liquid–liquid microextraction was developed for the isolation and preconcentration of free 17 β‐estradiol, the main human estrogen, from real human urine samples. To optimize the extraction technique, few important parameters such as type and volume of extraction and dispersive solvents, centrifugation conditions, effect of salt addition, and extraction time were studied. Optimal conditions were obtained when injecting 600 μL mixture of tetrachloromethane as extraction solvent and ethanol as dispersive solvent (1:5, v/v) into 2 mL of urine containing 8% NaCl and following centrifugation at 10 000 rpm, thus reaching enrichment factor 28 and extraction recovery 98% for estradiol. Procedure was evaluated by means of high‐performance liquid chromatography with UV detection (λ = 280 nm) using a C‐18 column and methanol/water (60:40, v/v) as the mobile phase. The method was linear within the concentration range 1.0–250.0 mg/L (r = 0.9997) and provided a limit of detection of 0.25 mg/L. The proposed method was applied to the determination of free estradiol in real human pregnancy urine.
Determination of chlorophenols in water using dispersive liquid–liquid microextraction coupled with water‐in‐oil microemulsion electrokinetic chromatography in normal stacking mode
Authors: Shi Ludi , Wang Jin , Feng Jing , Zhao Sihan , Wang Zhengmeng , Tao Hu , Liu Shuhui
Published: April 2017

The current routes to couple dispersive liquid–liquid microextraction with capillary electrophoresis are the evaporation of water immiscible extractants and the back‐extraction of analytes. In this study, a new methodology for this combination using water‐in‐oil microemulsion electrokinetic chromatography coupled with normal stacking mode on‐line sample concentration was developed to analyze chlorophenols in water samples. The analytes were extracted with tributyl phosphate and the extractant dilution (3×) was directly injected into an electrophoresis buffer (7.7 cm) containing 5% sodium dodecyl sulfate, 78% 1‐butanol, 2% 1‐heptane, and 15% sodium acetate solution (pH 8.0). This proposed method is very simple and convenient compared to the conventional procedures. The key parameters affecting separation and concentration were systematically optimized. Under the optimized conditions, dispersive liquid–liquid microextraction contributed an enrichment factor of 45–50, and the overall sensitivity improvement was 312–418‐fold. Limits of detection between 1.4 and 3.0 ng/mL and limits of quantification between 4.5 and 10.2 ng/mL were achieved. Acceptable repeatability lower than 3.0% for migration time and 9.0% for peak areas were obtained. The developed method was successfully applied for analysis of the chlorophenols in real water samples.
Evaluation of the role of surface pretreatments on the corrosion process. Correlation between conventional and electrochemical tests
Authors: Gimeno Pérez M. J. , Molina Castellanos J. , Izquierdo Escrig R. , Puig Brugal M. , García‐García C. , Gracenea Zapiraín J. J. , Suay Antón J. J.
Published: April 2017

The influence on the anticorrosion properties of three different pretreatments applied on steel panels, before being powder‐paint coated, is investigated both by conventional tests (cross cut, impact resistance, and neutral salt spray tests) and electrochemical tests (electrochemical impedance spectroscopy (EIS) and accelerated cyclic electrochemical technique (ACET)). Amorphous phosphate, microcrystalline phosphate, and a sol‐gel, based on 3‐aminopropyltriethoxysilane (APTES), were the different pretreatments that were analyzed. All of them were compared with a non‐pretreated coated carbon steel panel. The microcrystalline phosphate, followed by the sol‐gel surface treatments, showed the best system properties. These good results are attributed to ions available at the interface, and to covalent bonds generated by the silicon network and the substrate surface, respectively.
Corrosion behaviour of ruthenium laser surface alloyed austenitic stainless steel in sulphuric acid and sodium chloride solutions
Authors: van der Merwe J. W. , Moyo F. , Phetla E. M.
Published: April 2017

AISI 304L stainless steel was laser surface alloyed with ruthenium enriched 304L powder using a continuous wave Nd:YAG laser. Corrosion performance of the surface alloys was studied in 1 M sulphuric acid and 3.5 wt% sodium chloride at 25, 35 and 45 °C using potentiodynamic polarisation. The results showed that the presence of ruthenium decreased corrosion rates in both solutions and inhibited pitting in sodium chloride. High temperatures were particularly detrimental to the corrosion resistance of the alloys in sodium chloride, but were surprisingly beneficial in sulphuric acid; inducing spontaneous passivity and reducing corrosion current density from 129 μA/cm2at 25 °C to about 0.5 μA/cm2at 45 °C.
Cr diffusion and continuous repairing behavior during high‐temperature oxidation of duplex stainless steel
Authors: An L.C. , Cao J. , Zhang T. , Yang Y.T.
Published: April 2017

The initial oxidation behavior of duplex stainless steel was investigated at different temperatures in laboratory conditions through scanning electronic microscopy and Raman spectroscopy. Continuous repairing behavior was observed as the increased diffused Cr content induced increased ferrite phase transformation. The ferrite diffusion layer became thicker with increasing oxidation temperature.
Effects of milling on the corrosion behavior of Al2NbTi3V2Zr high‐entropy alloy system in 10% nitric acid solution
Authors: Tan X. R. , Zhi Q. , Yang R. B. , Wang F. Z. , Yang J. R. , Liu Z. X.
Published: April 2017

Al2NbTi3V2Zr alloys were prepared by low‐energy (LE) and high‐energy (HE) ball milling and subsequent vacuum hot pressing. The corrosion behavior of the Al2NbTi3V2Zr alloy in 10 wt% HNO3 solution was investigated. Results showed that the HE bulk exhibited improved corrosion resistance than the LE bulk. Both had lower corrosion rates than Ti64. The LE bulk displayed localized corrosion whereas the HE bulk exhibited general corrosion and a wide passive region. The corrosion resistance of the alloy depended on the content of the secondary phase for the LE bulk, whereas grain size of the secondary phase and matrix influenced the HE bulk.
Identification of small molecules using accurate mass MS/MS search
Authors: Kind Tobias , Tsugawa Hiroshi , Cajka Tomas , Ma Yan , Lai Zijuan , Mehta Sajjan S. , Wohlgemuth Gert , Barupal Dinesh Kumar , Showalter Megan R. , Arita Masanori , Fiehn Oliver
Published: April 2017

Tandem mass spectral library search (MS/MS) is the fastest way to correctly annotate MS/MS spectra from screening small molecules in fields such as environmental analysis, drug screening, lipid analysis, and metabolomics. The confidence in MS/MS‐based annotation of chemical structures is impacted by instrumental settings and requirements, data acquisition modes including data‐dependent and data‐independent methods, library scoring algorithms, as well as post‐curation steps. We critically discuss parameters that influence search results, such as mass accuracy, precursor ion isolation width, intensity thresholds, centroiding algorithms, and acquisition speed. A range of publicly and commercially available MS/MS databases such as NIST, MassBank, MoNA, LipidBlast, Wiley MSforID, and METLIN are surveyed. In addition, software tools including NIST MS Search, MS‐DIAL, Mass Frontier, SmileMS, Mass++, and XCMS2 to perform fast MS/MS search are discussed. MS/MS scoring algorithms and challenges during compound annotation are reviewed. Advanced methods such as the in silico generation of tandem mass spectra using quantum chemistry and machine learning methods are covered. Community efforts for curation and sharing of tandem mass spectra that will allow for faster distribution of scientific discoveries are discussed.
Assessing the performance of bias correction approaches for correcting monthly precipitation over India through coupled models
Authors: Singh Ankita , Sahoo Raj Kumar , Nair Archana , Mohanty U. C. , Rai R. K.
Published: April 2017

The objective of the present study was to investigate the inter‐annual variation and error structure in the prediction of monthly precipitation through two global coupled models, the National Centers for Environmental Prediction Climate Forecast System version 2 (CFSv2) and the Geophysical Fluid Dynamics Laboratory model. In view of the consistent systematic bias (dry bias during summer monsoon months and wet bias during pre‐monsoon months in CFSv2) a requirement to correct the inherent error is inevitable. For this purpose, a few bias correction methods, standardization−reconstruction (Z), quantile−quantile mapping (QQ) and nonlinear transformation (NL_Zi), are explored. The methods are applied to the outputs of the dynamic models and the efficiency is examined through different statistical skill measures. A maximum error reduction is noticed for March, July, September and December. A decreasing tendency for rainfall in July is represented by the raw model and its biased counterpart. The observed probability is noticed to be overestimated (underestimated) corresponding to below normal (above normal) precipitation in the raw model. The varying relationship between monthly precipitation and the NINO3.4 index might be a reason for misleading prediction during extreme years. Among the bias correction methods, NL_Zi showed maximum improvement in terms of predicting the precipitation amount and probability distribution all through the year irrespective of the selection of the coupled model.
A novel molecular diagnostics platform for somatic and germline precision oncology
Authors: Cabanillas Rubén , Diñeiro Marta , Castillo David , Pruneda Patricia C. , Penas Cristina , Cifuentes Guadalupe A. , de Vicente Álvaro , Durán Noelia S. , Álvarez Rebeca , Ordóñez Gonzalo R. , Cadiñanos Juan
Published: April 2017

Background

Next‐generation sequencing (NGS) opens new options in clinical oncology, from therapy selection to genetic counseling. However, realization of this potential not only requires succeeding in the bioinformatics and interpretation of the results, but also in their integration into the clinical practice. We have developed a novel NGS diagnostic platform aimed at detecting (1) somatic genomic alterations associated with the response to approved targeted cancer therapies and (2) germline mutations predisposing to hereditary malignancies.

Methods

Next‐generation sequencing libraries enriched in the exons of 215 cancer genes (97 for therapy selection and 148 for predisposition, with 30 informative for both applications), as well as selected introns from 17 genes involved in drug‐related rearrangements, were prepared from 39 tumors (paraffin‐embedded tissues/cytologies), 36 germline samples (blood) and 10 cell lines using hybrid capture. Analysis of NGS results was performed with specifically developed bioinformatics pipelines.

Results

The platform detects single‐nucleotide variants (SNVs) and insertions/deletions (indels) with sensitivity and specificity >99.5% (allelic frequency ≥0.1), as well as copy‐number variants (CNVs) and rearrangements. Somatic testing identified tailored approved targeted drugs in 35/39 tumors (89.74%), showing a diagnostic yield comparable to that of leading commercial platforms. A somatic EGFR p.E746_S752delinsA mutation in a mediastinal metastasis from a breast cancer prompted its anatomopathologic reassessment, its definite reclassification as a lung cancer and its treatment with gefitinib (partial response sustained for 15 months). Testing of 36 germline samples identified two pathogenic mutations (in CDKN2A and BRCA2). We propose a strategy for interpretation and reporting of results adaptable to the aim of the request, the availability of tumor and/or normal samples and the scope of the informed consent.

Conclusion

With an adequate methodology, it is possible to translate to the clinical practice the latest advances in precision oncology, integrating under the same platform the identification of somatic and germline genomic alterations.
Weight loss in Weight Watchers Online with and without an activity tracking device compared to control: A randomized trial
Authors: Thomas J. Graham , Raynor Hollie A. , Bond Dale S. , Luke Anna K. , Cardoso Chelsi C. , Foster Gary D. , Wing Rena R.
Published: April 2017

Objective

To evaluate a commercial online weight loss program and activity tracker, which are popular but have unknown efficacy.

Methods

Two hundred seventy‐nine participants with BMI 27 to 40 kg/m2 were randomized to 12 months of the Weight Watchers Online program alone (WWO) or with the ActiveLink® activity tracking device (WWO+AL) or an online newsletter (Control).

Results

Weight losses at 3 months were significantly greater in WWO (2.7 kg [95% confidence interval (CI), 2.0‐3.5 kg] than Control (1.3 kg [95% CI, 0.5‐2.0 kg]; P = 0.01); neither differed from WWO+AL (2.0 kg [95% CI, 1.3‐2.7 kg]; Ps > 0.56). Significantly more WWO participants (24.5%) achieved ≥ 5% weight loss at 3 months than Control (9.4%) (P = 0.01); neither differed from WWO+AL (17.6%) (Ps = 0.13‐0.28). At 12 months, there were no significant differences between groups in weight loss (Ps > 0.52). WWO (25.5%) continued to have a higher proportion of participants achieving ≥ 5% weight loss than Control (12.9%) (P = 0.04); neither differed from WWO+AL (14.3%) (Ps > 0.10). There were no significant between‐group differences in change in physical activity (Ps > 0.17).

Conclusions

WWO produced significantly more weight loss at 3 months relative to Control, but not at 12 months. Significantly more WWO than Control participants lost ≥ 5% at both 3 and 12 months. Participants receiving an activity tracking device did not achieve greater weight loss or physical activity increases than those in a Control condition.
Low velocity impact analysis of an axially functionally graded carbon nanotube reinforced cantilever beam
Authors: Ranjbar Mehdi , Feli Saeed
Published: April 2017

In this article, a new analytical model is presented for low velocity impact on an axially functionally graded (AFG) carbon nanotube (CNT) reinforced cantilever beam. In order to estimate the material properties of the composite media, the refined rule of mixtures approach containing the efficiency parameters is employed. Based on the third order shear deformation beam theory, the beam deformation is formulated and the contact force is obtained with the aid of the nonlinear Hertz contact law. To derive the equations of motion, energy method with combining the polynomial Ritz method and generalized Lagrange equations are employed. To validate the accuracy of the analytical model, the convergence and comparison studies are carried out with those are reported in the literature in the special cases and simulating the process with ABAQUS software. Afterward, the influences of CNTs distribution, CNTs volume fraction, impact position, impactor initial velocity, and beam geometrical parameters on the contact force and beam deflection at the impact position are studied in detail. POLYM. COMPOS., 39:E969–E983, 2018. © 2017 Society of Plastics Engineers
Mild fetal cerebral ventriculomegaly: prevalence, characteristics, and utility of ancillary testing in cases presenting to a tertiary referral center
Authors: Mehlhorn Alison J. , Morin Cara E. , Wong‐You‐Cheong Jade J. , Contag Stephen A.
Published: April 2017

Objective

Ventriculomegaly is the most common fetal brain anomaly identified during prenatal anatomy ultrasound. The aim of our study was to characterize cases of mild ventriculomegaly and investigate the utility of ancillary tests.

Method

We reviewed 121 cases of mild ventriculomegaly, defined as lateral ventricle diameter of 10 to 15 mm. Characteristics of the ventricular dilation as well as each pregnancy were investigated. Ancillary tests performed included follow‐up magnetic resonance imaging (MRI), chromosomal abnormality testing, and maternal serologic infection screening. The utility of each test was analyzed.

Results

We identified 56 cases of isolated and 65 cases of complex ventriculomegaly. Seventy‐two (59.5%) were unilateral, and 49 (40.5%) were bilateral, with a mean gestational age at diagnosis of 24.5 weeks. MRI provided additional information in 3/24 (12.5%) cases of isolated ventriculomegaly compared with 18/23 (78.2%) cases of complex ventriculomegaly. Chromosomal abnormality testing identified 4/9 (44.4%) genetic abnormalities compared with 8/30 (26.7%) in cases of isolated and complex mild ventriculomegaly, respectively. Finally, maternal serology infection screening was negative in all cases.

Conclusion

Ancillary testing is useful in isolated mild ventriculomegaly. Follow‐up MRI and chromosome abnormality testing specifically provided clinically useful information. Although there were no cases of maternal infection, screening may be an important component in management. © 2017 John Wiley & Sons, Ltd.
Nanostructure development in polystyrene‐b‐polybutadiene‐b‐poly(methyl methacrylate) (SBM) thin films by atomic force microscopy: Effect of copolymer composition and solvent
Authors: Martin Loli , Irusta Lourdes , González Alba , Tercjak Agnieszka , Kortaberria Galder
Published: April 2017

Surface morphology development for SBM triblock copolymer thin films has been studied by atomic force microscopy. The effect of copolymer composition and solvent on the final morphology has been investigated. Obtained results indicated that depending on the block ratio (symmetric or asymmetric with minority middle block) and solvent, lamellar, hexagonal, cylindrical, or spheres in lamellae (ls)‐type morphologies can be achieved at film surfaces. The influence of the interaction parameters among blocks and solvents and cohesive energy values of block pairs on the final morphology has been proved. POLYM. ENG. SCI., 58:422–429, 2018. © 2017 Society of Plastics Engineers
Degradation fitting of irradiated solar cells using variable threshold energy for atomic displacement
Authors: Salzberger Manuel , Nömayr Christel , Lugli Paolo , Messenger Scott R. , Zimmermann Claus G.
Published: April 2017

Characteristic degradation curves for proton and electron induced degradation of triple junction (3J) and isotype Ga0.5In0.5P/GaAs/Ge solar cells were obtained. The displacement damage dose methodology in combination with a varying effective threshold energy for atomic displacement Td,eff was used to analyze 3G28 and 3G30 3J cell data. The nonionizing energy loss (NIEL) was calculated analytically, and Td,eff was explicitly introduced as a fit parameter. Using the GaAs NIEL in fitting the 3J degradation data, a Td,eff of 21 eV was determined, whereas a Td,eff of 36 eV was found using the Ga0.5In0.5P NIEL. In GaAs and Ga0.5In0.5P single junction cells, the effective threshold energies for atomic displacement of 22 and 34 eV were determined. Copyright © 2017 John Wiley & Sons, Ltd.
The annealing effect on work function variation of WNxCy films deposited by remote plasma atomic layer deposition
Authors: Kim Hyunjung , Jang Woochool , Shin Changhee , Lee Kunyoung , Lim Heewoo , Kim Manseok , Yuh Junhan , Jeon Hyeongtag
Published: April 2017

Tungsten‐nitrogen‐carbide (WNxCy) thin films were investigated as the metal gate of complementary metal‐oxide‐semiconductor (CMOS) devices. WNxCy thin films were deposited by employing the remote plasma atomic layer deposition (RPALD) using a bis(tert‐butylimido) bis (dimethylamido) tungsten (BTBMW) precursor and hydrogen plasma as a reactant. The growth rate of the WNxCy films was about 0.12 nm/cycle. X‐ray diffraction (XRD) analysis indicated that the films consisted of a mixture of tungsten carbide and tungsten nitride phases. The atomic force microscope (AFM) analysis further confirmed that the WNxCy film surfaces deposited by RPALD were smooth. In addition, the chemical bonding state analysis showed that the WNxCy films consisted of WN, WC, and WO phases. To measure the work function of the WNxCy film, a MOSCAP (metal oxide semiconductor capacitor) stack was fabricated and the flat band voltage was measured by current–voltage (C–V) measurements. A WNxCy work function value of 4.91 eV was suitable for p‐MOS and the work function of the WNxCy films varied depending on the annealing treatment, and was higher than the work function of the as‐deposited WNxCy film.
Growth of 10 nm‐thick AlIn(Ga)N/GaN heterostructure with high electron mobility and low sheet resistance
Authors: Kim Jeong‐Gil , Im Ki‐Sik , Won Chul‐Ho , Kang Seung‐Hyeon , Lee Sang‐Heung , Lim Jong‐Won , Kim Ji Heon , Lee Jung‐Hee
Published: April 2017

We have grown an AlIn(Ga)N/GaN heterostructure which is a promising alternative to the AlGaN/GaN heterostructure. The mobility and the carrier concentration of the two‐dimensional electron gas (2DEG) formed at the AlIn(Ga)N/GaN heterointerface were strongly dependent on both the growth temperature and pressure. Two optimized growth conditions for the heterostructure with a low sheet resistance less than 300 Ω/sq were obtained by varying the growth temperature and pressure from 750 to 1070 °C and 100 to 300 torr, respectively: (i) AlIn(Ga)N/GaN heterostructure with high 2DEG carrier concentration of 2.4 × 1013 cm−2 with mobility of 1010 cm2 V−1s−1 (grown at 900 °C and 100 torr); (ii) AlIn(Ga)N/GaN heterostructure with high 2DEG mobility of 1910 cm2 V−1s−1 with carrier concentration of 1.13 × 1013 cm−2 (grown at 900 °C and 300 torr). Both structures would be useful for different purpose of device application.
Numerical simulation of the lattice properties of Fe1–xCoxSi – strongly correlated electron systems
Authors: Povzner A. A. , Filanovich A. N. , Nogovitsyna T. A.
Published: April 2017

Within the framework of a thermodynamic model, the phonon anharmonicity associated with both acoustic and optical vibrations of the crystal lattice is investigated. On this basis we have performed self‐consistent simulations of thermal and elastic properties of FeSi and CoSi compounds and their solid solutions Fe1–xCoxSi (x = 0.1, 0.3, 0.5), which are promising spintronic materials. The non‐lattice contributions to the heat capacity and coefficient of thermal expansion of the considered systems have been established. It is shown that the Invar effect observed in Fe0.7Co0.3Si and Fe0.5Co0.5Si is associated with anomalies of their electronic and magnetic subsystems.
Adaptive finite‐time stabilization of a class of quantized nonlinearly parameterized systems
Authors: Liu Wenhui , Ho Daniel W. C. , Xu Shengyuan , Zhang Baoyong
Published: April 2017

This paper deals with the problem of adaptive control of a class of strict‐feedback nonlinearly parameterized systems with quantized input signal. A hysteretic type of quantizer is used to avoid chattering. By using a power integrator technique, a new controller is designed to ensure the global finite‐time stability of the nonlinear system. Finally, two simulation examples are given to demonstrate the effectiveness of our design method. Copyright © 2017 John Wiley & Sons, Ltd.
Improved methods for the marginal analysis of longitudinal data in the presence of time‐dependent covariates
Authors: Chen I‐Chen , Westgate Philip M.
Published: April 2017

Generalized estimating equations (GEEs) are commonly used for the marginal analysis of longitudinal data. In order to obtain consistent regression parameter estimates, these estimating equations must be unbiased. However, in the presence of certain types of time‐dependent covariates, these equations can be biased unless they incorporate the independence working correlation structure. Moreover, in this case, regression parameter estimation can be very inefficient because not all valid moment conditions are incorporated within the corresponding estimating equations. Therefore, approaches based on the generalized method of moments or quadratic inference functions have been proposed in order to utilize all valid moment conditions. However, we have found in previous studies, as well as the current study, that such methods will not always provide valid inference and can also be improved upon in terms of finite‐sample regression parameter estimation. Therefore, we propose both a modified GEE approach and a method selection strategy in order to ensure valid inference with the goal of improving regression parameter estimation. In a simulation study and application example, we compare existing and proposed methods and demonstrate that our modified GEE approach performs well, and the correlation information criterion has good accuracy with respect to selecting the best approach in terms of regression parameter estimation. Copyright © 2017 John Wiley & Sons, Ltd.
Comparing performance of surgeons using risk‐adjusted procedures
Authors: Tang Xu , Gan Fah F.
Published: April 2017

It is naive and incorrect to use the proportions of successful operations to compare the performance of surgeons because the patients' risk profiles are different. In this paper, we explore the use of risk‐adjusted procedures to compare the performance of surgeons. One such risk‐adjusted statistic is the standardized mortality ratio (SMR), which measures the performance of a surgeon adjusted for the risks of patients assuming the average performance of a group of surgeons. Unlike the traditional SMR which is defined based on a population, this SMR is a random variable. Thus, all existing results for the traditional SMR are not valid unless the sample is large enough to be considered a population. In this paper, we develop two risk‐adjusted procedures for comparing the performance of surgeons. The asymptotic distributions of the test statistics are derived. We also use the bootstrap procedure to estimate finite‐sample distributions. Both probability of type I error and power of these procedures are investigated. Copyright © 2017 John Wiley & Sons, Ltd.
Role of CxNy‐Triazine in Photocatalysis for Efficient Hydrogen Generation and Organic Pollutant Degradation Under Solar Light Irradiation
Authors: Nguyen Chinh‐Chien , Vu Nhu‐Nang , Chabot Stéphane , Kaliaguine Serge , Do Trong‐On
Published: April 2017

A critical drawback of existing materials, which restricts the photocatalytic efficiency, is the fast recombination of charge carriers. To address this challenge, loading reduction and oxidation co‐catalysts on two opposite surfaces of a hollow semiconductor is a critical approach to improve the photocatalytic performance. These co‐catalysts mainly act as oxidation and reduction active sites, while suppressing the charge recombination. Moreover, the development of a novel and efficient co‐catalyst that boosts charge separation is a very important feature for the photocatalytic performance. Herein, we report the first synthesis of hollow Pt/TiO2/CxNy‐triazine nanocomposite using carbon colloidal spheres as a hard template, in which Pt and CxNy‐triazine are located on the two opposite hollow surfaces. CxNy‐based triazine species formed from cyanamide during calcination do not only stabilize the hollow structure and significantly enhance the surface area of Pt/TiO2/CxNy‐triazine, but also act as an efficient oxidation co‐catalysts. This new type of nanocomposite exhibits one of the best TiO2‐based photocatalysts working under solar light irradiation to date. It is 125 and 62 times higher than that of Pt/TiO2–P25 for hydrogen generation and methanol decomposition, respectively.
Reduced Erg Dosage Impairs Survival of Hematopoietic Stem and Progenitor Cells
Authors: Xie Ying , Koch Mia Lee , Zhang Xin , Hamblen Melanie J. , Godinho Frank J. , Fujiwara Yuko , Xie Huafeng , Klusmann Jan-Henning , Orkin Stuart H. , Li Zhe
Published: April 2017

ERG, an ETS family transcription factor frequently overexpressed in human leukemia, has been implicated as a key regulator of hematopoietic stem cells. However, how ERG controls normal hematopoiesis, particularly at the stem and progenitor cell level, and how it contributes to leukemogenesis remain incompletely understood. Using homologous recombination, we generated an Erg knockdown allele (Ergkd) in which Erg expression can be conditionally restored by Cre recombinase. Ergkd/kd animals die at E10.5–E11.5 due to defects in endothelial and hematopoietic cells, but can be completely rescued by Tie2-Cre-mediated restoration of Erg in these cells. In Ergkd/+ mice, ∼40% reduction in Erg dosage perturbs both fetal liver and bone marrow hematopoiesis by reducing the numbers of Lin–Sca-1+c-Kit+ (LSK) hematopoietic stem and progenitor cells (HSPCs) and megakaryocytic progenitors. By genetic mosaic analysis, we find that Erg-restored HSPCs outcompete Ergkd/+ HSPCs for contribution to adult hematopoiesis in vivo. This defect is in part due to increased apoptosis of HSPCs with reduced Erg dosage, a phenotype that becomes more drastic during 5-FU-induced stress hematopoiesis. Expression analysis reveals that reduced Erg expression leads to changes in expression of a subset of ERG target genes involved in regulating survival of HSPCs, including increased expression of a pro-apoptotic regulator Bcl2l11 (Bim) and reduced expression of Jun. Collectively, our data demonstrate that ERG controls survival of HSPCs, a property that may be used by leukemic cells.
Unacylated Ghrelin Enhances Satellite Cell Function and Relieves the Dystrophic Phenotype in Duchenne Muscular Dystrophy mdx Model
Authors: Reano Simone , Angelino Elia , Ferrara Michele , Malacarne Valeria , Sustova Hana , Sabry Omar , Agosti Emanuela , Clerici Sara , Ruozi Giulia , Zentilin Lorena , Prodam Flavia , Geuna Stefano , Giacca Mauro , Graziani Andrea , Filigheddu Nicoletta
Published: April 2017

Muscle regeneration depends on satellite cells (SCs), quiescent precursors that, in consequence of injury or in pathological states such as muscular dystrophies, activate, proliferate, and differentiate to repair the damaged tissue. A subset of SCs undergoes self-renewal, thus preserving the SC pool and its regenerative potential. Unacylated ghrelin (UnAG) is a circulating hormone that protects muscle from atrophy, promotes myoblast differentiation, and enhances ischemia-induced muscle regeneration. Here we show that UnAG increases SC activity and stimulates Par polarity complex/p38-mediated asymmetric division, fostering both SC self-renewal and myoblast differentiation. Because of those activities on different steps of muscle regeneration, we hypothesized a beneficial effect of UnAG in mdx dystrophic mice, in which the absence of dystrophin leads to chronic muscle degeneration, defective muscle regeneration, fibrosis, and, at later stages of the pathology, SC pool exhaustion. Upregulation of UnAG levels in mdx mice reduces muscle degeneration, improves muscle function, and increases dystrophin-null SC self-renewal, maintaining the SC pool. Our results suggest that UnAG has significant therapeutic potential for preserving the muscles in dystrophies.
Investigations on the coefficient of thermal expansion of a low‐calcium fly ash‐based geopolymer concrete
Authors: Ma Jianxin , Dehn Frank
Published: April 2017

In this paper, the deformation of a sealed low‐calcium fly ash‐based geopolymer concrete during heat curing was investigated. The sealed sample underwent thermal deformation due to temperature change and possible autogenous deformation related to alkaline activation of the fly ash. For the separation of the both deformation types the coefficient of thermal expansion (CTE) is a paramount issue. The CTE evolution of the geopolymer concrete from plastic to hardened state was determined by means of a new method proposed in this paper. Based on the experimental results, the CTE is mathematically described as a function of the so‐called equivalent time. The thermal dilation during heat curing was then calculated using the CTE equation. The autogenous shrinkage of the fly ash‐based geopolymer concrete is comparatively low. The thermal dilation during the heat curing cannot completely reverse, if the concrete is cooled down to its temperature at the beginning of the heating. After the heat curing no further autogenous deformation was observed on sealed samples continuously cured at room temperature.
Ambivalence for Cognitivists: A Lesson from Chrysippus?
Authors: Wringe Bill ,   Philosophy Documentation Center
Published: April 2017

Ambivalence—where we experience two conflicting emotional responses to the same object, person or state of affairs—is sometimes thought to pose a problem for cognitive theories of emotion. Drawing on the ideas of the Stoic Chrysippus, I argue that a cognitivist can account for ambivalence without retreating from the view that emotions involve fully-fledged evaluative judgments. It is central to the account I offer that emotions involve two kinds of judgment: one about the object of emotion, and one about the subject’s response.