bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rapid Access to Triarylated Cyclotriveratrylenes from Threefold Couplings of CTV‐I3 with Triarylbismuth Reagents
Authors: Rao Maddali L. N. , Talode Jalindar B. 
Published: October 2015

AbstractA series of C3‐symmetric triiodocyclotriveratrylene (CTV‐I3) derivatives have been successfully arylated to afford the corresponding triarylcyclotriveratrylene derivatives in high yields by using triarylbismuth compounds as threefold coupling reagents under palladium‐catalyzed conditions. This functionalization is valuable in the context of the development of new synthetic and coupling studies to rapidly access cyclotriveratrylene molecular skeletons with rigid and deeper cavities.
Evidence for Degradation of the Chrome Yellows in Van Gogh’s Sunflowers: A Study Using Noninvasive In Situ Methods and Synchrotron‐Radiation‐Based X‐ray Techniques
Authors: Monico Letizia , Janssens Koen , Hendriks Ella , Vanmeert Frederik , Van der Snickt Geert , Cotte Marine , Falkenberg Gerald , Brunetti Brunetto Giovanni , Miliani Costanza 
Published: October 2015

AbstractThis paper presents firm evidence for the chemical alteration of chrome yellow pigments in Van Gogh’s Sunflowers (Van Gogh Museum, Amsterdam). Noninvasive in situ spectroscopic analysis at several spots on the painting, combined with synchrotron‐radiation‐based X‐ray investigations of two microsamples, revealed the presence of different types of chrome yellow used by Van Gogh, including the lightfast PbCrO4 and the sulfur‐rich PbCr1−xSxO4 (x≈0.5) variety that is known for its high propensity to undergo photoinduced reduction. The products of this degradation process, i.e., CrIII compounds, were found at the interface between the paint and the varnish. Selected locations of the painting with the highest risk of color modification by chemical deterioration of chrome yellow are identified, thus calling for careful monitoring in the future.
Global and Local Conformation of Human IgG Antibody Variants Rationalizes Loss of Thermodynamic Stability
Authors: Edgeworth Matthew J. , Phillips Jonathan J. , Lowe David C. , Kippen Alistair D. , Higazi Daniel R. , Scrivens James H. 
Published: October 2015

AbstractImmunoglobulin G (IgG) monoclonal antibodies (mAbs) are a major class of medicines, with high specificity and affinity towards targets spanning many disease areas. The antibody Fc (fragment crystallizable) region is a vital component of existing antibody therapeutics, as well as many next generation biologic medicines. Thermodynamic stability is a critical property for the development of stable and effective therapeutic proteins. Herein, a combination of ion‐mobility mass spectrometry (IM‐MS) and hydrogen/deuterium exchange mass spectrometry (HDX‐MS) approaches have been used to inform on the global and local conformation and dynamics of engineered IgG Fc variants with reduced thermodynamic stability. The changes in conformation and dynamics have been correlated with their thermodynamic stability to better understand the destabilising effect of functional IgG Fc mutations and to inform engineering of future therapeutic proteins.
A novel grafting‐modified waste rubber powder as filler in natural rubber vulcanizates
Authors: Yu Ruobing , Gong Zhaohong , Guo Weihong , Zhang Haibin , Liu Chunling 
Published: October 2015

ABSTRACTPolycardanol was synthesized from cardanol, paraformaldehyde, p‐toluenesulfonic acid, phosphoric acid (H3PO4), and phosphorus pentoxide (P2O5) via a two‐step process. Results indicated that polycardanol is an acid with high molecular weight and can be self‐crosslinked at high temperature. A modified WRP (MWRP) grafted by long chain can be obtained from the reaction between WRP and polycardanol. The sulfur content of MWRP is 0.27%, which is lower than that of WRP by 0.47%. The oxygen content of MWRP is higher by 13% than that of WRP. The phosphorus content of MWRP reaches 5.25%. The water contact angle of MWRP is 91.5°, whereas that of WRP is 123.7°. The properties of the WRP/NR and MWRP/NR composites were also investigated. MWRP/NR possesses higher tensile strength than WRP/NR because of the enhanced interfacial interaction between MWRP and the NR matrix. Post‐treatment is also conducive for MWRP/NR to improve its tensile strength at high MWRP content. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42993.
Behaving Optimistically: How the (Un)Desirability of an Outcome Can Bias People's Preparations for It
Authors: Stuart Jillian O' Rourke , Windschitl Paul D. , Smith Andrew R. , Scherer Aaron M. 
Published: October 2015

AbstractPast research on the desirability bias and on bracing for bad news has focused on the potential influence of outcome desirability on people's stated expectations. The present studies examined its influence on behavior—that is, what is done in anticipation of, or preparation for, an uncertain outcome. In five studies, the desirability of possible outcomes for an event, which was uncertain and uncontrollable by the participant, was manipulated, and preparation behavior was measured. Study 1 used a hypothetical‐events paradigm. Studies 2 and 3 involved a computer activity in which behavior was tracked on a trial‐by‐trial basis. In Studies 4 and 5, the uncertain event was the ending of a videotaped basketball game. Rather than exhibiting bracing or a reluctance to tempt fate, participants tended to behave in a manner consistent with an optimistic desirability bias. In a subset of studies, predictions and likelihood judgments were also solicited; the differential effects of outcome desirability on these measures are discussed. Copyright © 2015 John Wiley & Sons, Ltd.
Mentoring serial and high‐risk perpetrators of intimate partner violence in the community: Engagement and initiating change
Authors: Walker Kate , Bowen Erica 
Published: October 2015

AbstractBackgroundMentoring has typically been used with young offenders. A pilot‐mentoring project has been introduced in the UK for high‐risk intimate partner violence (IPV) offenders.AimsThe aim of the study was to evaluate how serial and high‐risk IPV men engaged with mentoring and how change was initiated for this population.MethodsInterviews were conducted with two mentors, six mentees and four support workers, and file notes for 16 mentees were examined. Thematic analysis was employed to analyse the data.ResultsThe global theme, tools and techniques that facilitate engagement comprised two organising themes, building relationships and tenacity of the mentor, which explained how engagement was initiated and driven. Catalysts to initiate change with its two organising themes, hooks and focus on the future, captured factors that act as potential turning points or triggers for the mentees to address their use of IPV and start the process of change.ConclusionsMentoring is an innovative and alternative approach for engaging intervention‐resistant serial and high‐risk IPV perpetrators, enabling them to identify their need to change and laying down the foundation that could facilitate this change. Copyright © 2015 John Wiley & Sons, Ltd.
The HgF2 Ionic Switch: A Triumph of Electrostatics against Relativistic Odds
Authors: Donald Kelling J. , Kretz William J. , Omorodion Oluwarotimi 
Published: October 2015

AbstractA remarkable transition in the chemical bonding in (HgF2)n clusters as a function of n is identified and characterized. HgF2 is a fascinating material. Certain significant consequences of relativistic effects on the structure of the HgF2 molecule, dimer, and trimer disappear in the extended solid. Relativistic effects in Hg ensure that HgX2 molecules (X≡F, Cl, Br, and I) are linear, rigid, and form weakly bound dimers and trimers held together by weak electrostatic and van der Waals‐type forces (unlike ZnX2 and CdX2 systems in which the intermonomer contacts are strong polar covalent bonds). For HgF2, the location and nature of an apparent transition from weak interactions in the smallest (HgF2)n clusters to ionic bonding in the (fluorite) HgF2 extended solid has remained a mystery. Computational evidence obtained at the M06‐2X, B97D3, and MP2 levels of theory and reported herein indicate that polar covalent bonding in (HgF2)n begins as early as n=5. For n=2 through to n=13, the transition or switch from weak (primarily dipole–dipole‐type) intermonomer interactions to a preference for polar covalent bonding occurs within the range 5<n≤9. Thermodynamic evidence for this transition is provided. Our results demonstrate a significant risk associated with crystal structure prediction from the ground up (i.e., based on bonding patterns in small clusters). The path from monomers through to extended solids may be punctuated at one or several points (as n increases) with transitions in structure and bonding that are not anticipated or betrayed by the bonding in small clusters.
Variable selection and inference procedures for marginal analysis of longitudinal data with missing observations and covariate measurement error
Authors: Yi Grace Y. , Tan Xianming , Li Runze 
Published: October 2015

AbstractIn contrast to extensive attention on model selection for cross‐sectional data, research on model selection for longitudinal data remains largely unexplored. This is particularly the case when data are subject to missingness and measurement error. To address this important problem, we propose marginal methods that simultaneously carry out model selection and estimation for longitudinal data with missing responses and error‐prone covariates. Our methods have several appealing features: the applicability is broad because the methods are developed for a unified framework with marginal generalized linear models; model assumptions are minimal in that no full distribution is required for the response process and the distribution of the true covariates is left unspecified; and the implementation is straightforward. To justify the proposed methods, we provide both theoretical properties and numerical assessments.The Canadian Journal of Statistics43: 498–518; 2015 © 2015 Statistical Society of Canada
Robust model‐based stratification sampling designs
Authors: Zhai Zhichun , Wiens Douglas P. 
Published: October 2015

AbstractWe address the resistance, somewhat pervasive within the sampling community, to model‐based methods. We do this by introducing notions of “approximate models” and then deriving sampling methods which are robust to model misspecification within neighbourhoods of the sampler's approximate, working model. Specifically we study robust sampling designs for model‐based stratification, when the assumed distribution of an auxiliary variable x, and the mean function and the variance function in the associated regression model, are only approximately specified. We adopt an approach of “minimax robustness,” to which end we introduce neighbourhoods of the “working” , and working regression model, and maximize the prediction mean squared error (MSE) for the empirical best predictor, of a population total, over these neighbourhoods. Then we obtain robust sampling designs, which minimize an upper bound of the maximum MSE through a modified genetic algorithm with “artificial implantation.” The techniques are illustrated in a case study of Australian sugar farms, where the goal is the prediction of total crop size, stratified by farm size. The Canadian Journal of Statistics 43: 554–577; 2015 © 2015 Statistical Society of Canada
Is adjuvant chemotherapy indicated in ovarian immature teratomas? A combined data analysis from the Malignant Germ Cell Tumor International Collaborative
Authors: Pashankar Farzana , Hale Juliet P. , Dang Ha , Krailo Mark , Brady William E. , Rodriguez‐Galindo Carlos , Nicholson James C. , Murray Matthew J. , Bilmire Deborah F. , Stoneham Sara , Arul G. Suren , Olson Thomas A. , Stark Daniel , Shaikh Furqan , Amatruda James F. , Covens Allan , Gershenson David M. , Frazier A. Lindsay 
Published: October 2015

BACKGROUNDThere is a debate regarding the management of ovarian immature teratomas (ITs). In adult women, postoperative chemotherapy is standard except for stage I, grade 1 disease, whereas surgery alone is standard in pediatric patients. To determine the role of chemotherapy, a pooled analysis of pediatric and adult clinical trials was conducted.METHODSData from 7 pediatric trials and 2 adult trials were merged in the Malignant Germ Cell International Collaborative data set. Four trials included patients with newly diagnosed pure ovarian ITs and were selected (Pediatric Oncology Group/Children's Cancer Group Intergroup Study (INT 0106), Second UKCCSG Germ Cell Tumor Study (GC2), Gynecologic Oncology Group (GOG 0078 and GOG 0090). Adult and pediatric trials were analyzed separately. The primary outcome measures were event‐free survival (EFS) and overall survival (OS).RESULTSOne hundred seventy‐nine patients were included (98 pediatric patients and 81 adult patients). Ninety pediatric patients were treated with surgery alone, whereas all adult patients received chemotherapy. The 5‐year EFS and OS were 91% and 99%, respectively, for the pediatric cohort and 87% and 93%, respectively, for the adults. There were no relapses in grade 1 patients, regardless of the stage or age. Only 1 adult patient with a grade 2 IT relapsed. Among grade 3 patients, the 5‐year EFS was 0.92 (0.72‐0.98) for stage I/II and 0.52 (0.22‐0.75) for stage III in the pediatric cohort (P = .005) and 0.91 (0.69‐0.98) for stage I/II and 0.65 (0.39‐0.83) for stage III/IV in the adult cohort (P = .01). Postoperative chemotherapy did not decrease relapses in the pediatric cohort.CONCLUSIONSThe grade was the most important risk factor for relapse in ovarian ITs. Among grade 3 patients, the stage was significantly associated with relapse. Adjuvant chemotherapy did not decrease relapses in the pediatric cohort; its role in adults remains unresolved. Cancer 2016;122:230–237. © 2015 American Cancer Society.
RAS/MAPK pathway hyperactivation determines poor prognosis in undifferentiated pleomorphic sarcomas
Authors: Serrano César , Romagosa Cleofé , Hernández‐Losa Javier , Simonetti Sara , Valverde Claudia , Moliné Teresa , Somoza Rosa , Pérez Manuel , Vélez Roberto , Vergés Ramona , Domínguez Rosa , Carles Joan , Ramón y Cajal Santiago 
Published: October 2015

BACKGROUNDUndifferentiated pleomorphic sarcoma (UPS) constitutes the most common subtype of soft tissue sarcoma. However, UPS is clinically and molecularly poorly understood, in great extent due to its intrinsic phenotypic and cytogenetic complexity, which in turn results in the absence of specific prognostic or predictive biomarkers. The RAS/mitogen‐activated protein kinases (MAPK) and phosphoinositide 3‐kinase inhibitor (PI3K)/mammalian target of rapamycin (mTOR) pathways are considered to be 2 major mechanisms for sarcoma proliferation and survival and to the authors' knowledge their role in UPS remains unclear. The objective of the current study was to investigate whether the RAS/MAPK and PI3K/mTOR pathways are activated in UPS, and whether pathway activation is associated with outcome.METHODSRecords for patients diagnosed and treated for UPS in the study institution between 2000 and 2009 were reviewed. Phosphorylation status of 4E‐binding protein (4E‐BP1), eukaryotic translation initiation factor 4E (eIF‐4E), S6‐RP, and ERK 1/2, together with total forms of 4E‐BP1 and eIF‐4E, were assessed using immunohistochemistry in paraffin‐embedded tumor tissue. Mutational analysis for KRAS; NRAS; BRAF; and phosphatidylinositol‐4,5‐bisphosphate 3‐kinase, catalytic subunit alpha (PIK3CA) oncogenic mutations was performed as well.RESULTSCritical lymph nodes within the RAS/MAPK and PI3K/mTOR pathways were found to be activated in >80% of UPS cases. Hyperactivation of the RAS/MAPK pathway, as assessed by expression of phosphorylated ERK 1/2, was found to independently predict a higher risk of disease recurrence and impaired overall survival. Only a KRAS A146V mutation was detected in 1 tumor.CONCLUSIONSThe RAS/MAPK and PI3K/mTOR pathways are activated in the majority of cases of UPS. The RAS/MAPK pathway distinguishes a subgroup of patients with localized UPS with a worse outcome. Cancer 2016;122:99–107. © 2015 American Cancer Society.
Base‐Free Aqueous‐Phase Oxidation of 5‐Hydroxymethylfurfural over Ruthenium Catalysts Supported on Covalent Triazine Frameworks
Authors: Artz Jens , Palkovits Regina 
Published: October 2015

AbstractThe base‐free aqueous‐phase oxidation of 5‐hydroxymethylfurfural (HMF) to 2,5‐furandicarboxilic acid (FDCA) was performed at 140 °C and 20 bar of synthetic air as the oxidant. Ru clusters supported on covalent triazine frameworks (CTFs) enabled superior conversion (99.9 %) and FDCA yields in comparison to other support materials such as activated carbon and γ‐Al2O3 after only 1 h. The properties of the CTFs such as pore volume, specific surface area, and polarity could be tuned by using different monomers. These material properties influence the catalytic activity of Ru/CTF significantly as mesoporous CTFs showed superior activity compared to microporous materials, whereas high polarities provide further beneficial effects. The recyclability of the prepared Ru/CTF catalysts was comparable to that of Ru/C at high conversions and product yields. Nevertheless, minor deactivation in five successive recycling experiments was observed.
Use of fine‐needle aspirate calcitonin to detect medullary thyroid carcinoma: A systematic review
Authors: Trimboli Pierpaolo , Guidobaldi Leo , Bongiovanni Massimo , Crescenzi Anna , Alevizaki Maria , Giovanella Luca 
Published: October 2015

BackgroundThe measurement of calcitonin in washout fluids of thyroid nodule aspirate (FNA‐calcitonin) has been reported as accurate to detect medullary thyroid carcinoma (MTC). The results from these studies have been promising and the most updated version of ATA guidelines quoted for the first time that “FNA findings that are inconclusive or suggestive of MTC should have calcitonin measured in the FNA washout fluid.” Here we aimed to systematically review published data on this topic to provide more robust estimates.Research Design and MethodsA comprehensive computer literature search of the medical databases was conducted by searching for the terms “calcitonin” AND “washout.” The search was updated until April 2015.ResultsTwelve relevant studies, published between 2007 and 2014, were found. Overall, 413 thyroid nodules or neck lymph nodes underwent FNA‐calcitonin, 95 were MTC lesions and 93 (97.9%) of these were correctly detected by this measurement regardless of their cytologic report.ConclusionsThe present study shows that the above ATA recommendation is well supported. Almost all MTC lesions are correctly detected by FNA‐calcitonin and this technique should be used to avoid false negative or inconclusive results from cytology. The routine determination of serum calcitonin in patients undergoing FNA should improve the selection of patients at risk for MTC, guiding the use of FNA‐calcitonin in the same FNA sample and providing useful information to the cytopathologist for the morphological assessment and the application of tailored ancillary tests. Diagn. Cytopathol. 2016;44:45–51. © 2015 Wiley Periodicals, Inc.
Macro‐ and micro‐morphological characters of Hibiscus diversifolius Jacq. subsp. diversifolius (Malvaceae): A new record for the flora of Egypt
Authors: Badry Mohamed O. , Tate Jennifer A. , Sheded Mohamed G. , El‐Naggar Salah M. , Hamed Sohair T. 
Published: October 2015

AbstractHibiscus diversifolius. subsp. diversifolius (Malvaceae) has been recently recorded as a new addition to the flora of Egypt. This study provides the first detailed morphological, anatomical, palynological and seed coat characteristics for this taxon. Anatomical investigations of stem, petiole and leaf characteristics under light microscopy, as well as scanning electron microscopy investigations of leaf surfaces, pollen grains and seed pattern suggest that this taxon is closely related to Hibiscus sabdariffa of section Furcaria. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Learning by subtraction: Hippocampal activity and effects of ethanol during the acquisition and performance of response sequences
Authors: Ketchum Myles J. , Weyand Theodore G. , Weed Peter F. , Winsauer Peter J. 
Published: October 2015

ABSTRACTLearning is believed to be reflected in the activity of the hippocampus. However, neural correlates of learning have been difficult to characterize because hippocampal activity is integrated with ongoing behavior. To address this issue, male rats (n = 5) implanted with electrodes (n = 14) in the CA1 subfield responded during two tasks within a single test session. In one task, subjects acquired a new 3‐response sequence (acquisition), whereas in the other task, subjects completed a well‐rehearsed 3‐response sequence (performance). Both tasks though could be completed using an identical response topography and used the same sensory stimuli and schedule of reinforcement. More important, comparing neural patterns during sequence acquisition to those during sequence performance allows for a subtractive approach whereby activity associated with learning could potentially be dissociated from the activity associated with ongoing behavior. At sites where CA1 activity was closely associated with behavior, the patterns of activity were differentially modulated by key position and the serial position of a response within the schedule of reinforcement. Temporal shifts between peak activity and responding on particular keys also occurred during sequence acquisition, but not during sequence performance. Ethanol disrupted CA1 activity while producing rate‐decreasing effects in both tasks and error‐increasing effects that were more selective for sequence acquisition than sequence performance. Ethanol also produced alterations in the magnitude of modulations and temporal pattern of CA1 activity, although these effects were not selective for sequence acquisition. Similar to ethanol, hippocampal micro‐stimulation decreased response rate in both tasks and selectively increased the percentage of errors during sequence acquisition, and provided a more direct demonstration of hippocampal involvement during sequence acquisition. Together, these results strongly support the notion that ethanol disrupts sequence acquisition by disrupting hippocampal activity and that the hippocampus is necessary for the conditioned associations required for sequence acquisition. © 2015 Wiley Periodicals, Inc.
Soil Wetting Pattern from Subsurface Drip Irrigation as Affected by Application of a Polyacrylamide Layer†
Authors: Zin El‐Abedin Tarek K. , Mattar Mohamed A. , Alazba A. A. 
Published: October 2015

AbstractA soil box was used to investigate the water movement and soil water distribution around subsurface drip laterals with two emitters in the presence of a thin layer of polyacrylamide (PAM). Sandy soil was uniformly packed into a soil box. The PAM was applied at a rate of 29.3 kg ha‐1 as a 0.01% solution by spraying it directly onto the soil surface at the required depths. With an operating pressure of 150 kPa and no PAM layer, the water consumption with a dripper line depth of 0.15 m was 12% lower than with a dripper line depth of 0.10 m. The greatest improvement in soil water‐holding capacity after the addition of a PAM layer (47%) was observed when the dripper line was placed at a depth of 0.15 m under an operating pressure of 100 kPa. With a dripper line depth of 0.15 m and an operating pressure of 100 kPa, the average moisture content in the vertical planes below and above the dripper line directly increased by about 7.4 and 20%, respectively, with PAM layers at 0.25 and 0.30 m depths when compared with the moisture content with no PAM layer. The combination of a dripper line depth of 0.15 m, a PAM layer depth of 0.30 m and an operating pressure of 100 kPa will achieve optimal water management. Copyright © 2015 John Wiley & Sons, Ltd.