bluuebunny/crossref_metadata_2025_split huggingface dataset:
Microporous Nanotubes and Nanospheres with Iron‐Catechol Sites: Efficient Lewis Acid Catalyst and Support for Ag Nanoparticles in CO2 Fixation Reaction
Authors: Modak Arindam , Bhanja Piyali , Bhaumik Asim 
Published: July 2018

AbstractFeIII‐containing hyper‐crosslinked microporous nanotubes (FeNTs) and nanospheres (FeNSs) are synthesized through the reaction of catechol and dimethoxymethane in the presence of FeCl3 or CF3SO3H. Both FeNTs and FeNSs demonstrate excellent catalytic activity in Lewis acid catalysis (hydrolysis and regioselective methanolysis of styrene oxide) and tandem catalysis involving a sequential oxidation‐cyclization process, which selectively converts benzyl alcohol to 2‐phenyl benzimidazole. Apart from Lewis acidity, the FeNTs and FeNSs also showed CO2 uptake capacities of 2.6 and 2.2 mmol g−1, respectively, at a pressure of 1 atm and temperature of 273 K. Furthermore, Ag nanoparticles are immobilized successfully on the surfaces of FeNTs and FeNSs by the liquid‐phase impregnation method to prepare Ag@FeNT and Ag@FeNS nanocomposites, which show high catalytic activity for the selective fixation of CO2 to phenylacetylene to yield phenylpropiolic acid at 60 °C and 1 atm CO2 pressure. Hence, FeIII‐catechol‐containing hyper‐crosslinked nanotubes and nanospheres have huge potential not only as Lewis acid catalysts, but also as excellent supports for immobilizing Ag nanoparticles in the design of a robust catalyst for the carboxylation of terminal alkynes, which has wide scope in catalysis and environmental research.
Expeditious Preparation of Open‐Cage Fullerenes by Rhodium(I)‐Catalyzed [2+2+2] Cycloaddition of Diynes and C60: An Experimental and Theoretical Study
Authors: Artigas Albert , Pla‐Quintana Anna , Lledó Agustí , Roglans Anna , Solà Miquel 
Published: July 2018

AbstractInvited for the cover of this issue is the group of Agustí Lledó, Anna Roglans and Miquel Solà at the Universitat de Girona. The image depicts Rh as the key to unlocking the fullerene cage. Read the full text of the article at 10.1002/chem.201802298.
Aerobic Oxidation/Annulation Cascades through Synergistic Catalysis of RuCl3 and N‐Heterocyclic Carbenes
Authors: Wang Qian , Chen Jiean , Huang Yong 
Published: July 2018

AbstractCooperative catalysis combining a transition metal with an N‐heterocyclic carbene is challenging due to strong binding of NHCs towards late transition metals. We report the first example of synergistic catalysis by a chiral NHC and a coordinatively unsaturated ruthenium compound. RuCl3 was found to mediate efficient aerobic oxidation of homoenolates generated from enals and the N‐heterocyclic carbene. The resulting α,β‐unsaturated acylazolium intermediate reacts selectively with 1,3‐dicarbonyl compounds or ketones at either the β‐ or γ‐carbon, yielding polysubstituted chiral lactones in high yield and with excellent enantioselectivity (up to 98 % yield, 94 % ee). This protocol can be applied to structurally sophisticated substrates.
Gender role strain, core schemas, and psychotic experiences in ethnically diverse women: A role for sex‐ and gender‐based analysis in psychosis research?
Authors: Haarmans Maria , McKenzie Kwame , Kidd Sean A. , Bentall Richard P. 
Published: July 2018

AbstractNegative ‐self and ‐others core schemas have been implicated in the development and maintenance of psychotic experiences. One component of the self‐system is gender‐role strain (GRS; perceived discrepancy between actual self and gender‐role norms). Although the role of gender in the formation of core schemas has been underscored in social and developmental psychology literatures, GRS has not been investigated in relation to psychosis. We examined whether it might be associated with negative schemas and psychotic experiences in women consistent with the trend toward sex‐ and gender‐based analysis (SGBA) in health research. Forty‐four women with a schizophrenia spectrum disorder diagnosis and 48 female nonclinical participants completed a series of questionnaires measuring GRS, femininity ideology, core schemas, childhood trauma, and implicit femininity stereotypes (The Gender Stereotype Implicit Association Test). Half the total sample comprised women with minority‐ethnic status. Women in the psychosis group reported higher levels of GRS than comparison participants. Differences in endorsement of femininity ideology between the two groups narrowly missed significance with a trend toward greater femininity ideology in the psychosis group and significantly greater endorsement of the sexual purity domain for minority‐ethnic women. There was no difference in implicit femininity stereotypes. Analyses suggested that the relationship between GRS and symptoms was mediated by negative ‐self and ‐others schemas. Childhood sexual trauma, though higher for women with psychosis, was associated with gender‐role strain in the nonclinical sample only. Findings warrant further investigation with larger samples. SGBA has the potential to fill gaps in our current knowledge with regard to psychosis theory, research, and practice.
Proteasome inhibition with bortezomib induces a therapeutically relevant depletion of plasma cells in SLE but does not target their precursors
Authors: Alexander Tobias , Cheng Qingyu , Klotsche Jens , Khodadadi Laleh , Waka Aderajew , Biesen Robert , Hoyer Bimba F. , Burmester Gerd R. , Radbruch Andreas , Hiepe Falk 
Published: July 2018

AbstractLong‐lived plasma cells (PCs) not only provide protective humoral immunity, they are also an essential component of the autoreactive immunologic memory that may drive chronic immune responses in systemic autoimmunity, such as systemic lupus erythematosus (SLE). The therapeutic relevance of their targeting has been demonstrated in preclinical models and severe, treatment‐refractory cases of autoimmune diseases using the proteasome inhibitor bortezomib. Herein, we describe in detail the dynamic serologic changes and effects on immune effector cells in eight SLE patients receiving a median two cycles of 1.3 mg/m2 intravenous bortezomib. Upon proteasome inhibition, immunoglobulin levels gradually declined by ∼30%, associated with a significant reduction of autoantibodies, and serum complement whereas B‐cell activation factor levels increased. While proteasome inhibition was associated with a significant depletion of short‐ and long‐lived PCs in peripheral blood and bone marrow by ∼50%, including those with a distinctly mature CD19− phenotype, their precursor B cells and T cells largely remained unaffected, resulting in a rapid repopulation of short‐lived PCs after bortezomib withdrawal, accompanied by increasing autoantibody levels. Collectively, these findings identify proteasome inhibitors as a promising treatment option for refractory SLE, but also indicate that PC depletion needs to be combined with targeted B‐cell therapies for sustained responses in systemic autoimmunity.
Synergistic antinociception between ZC88, an N‐type voltage‐dependent calcium channel blocker, and ibuprofen in mouse models of visceral and somatic inflammatory pain
Authors: Zhou W.‐Z. , Zhao T.‐Y. , Wang Z.‐Y. , Lu G.‐Y. , Zhang S.‐Z. , Zhang C. , Wu N. , Li J. 
Published: July 2018

AbstractBackgroundA combination of analgesic agents with different mechanisms can induce additive or synergistic analgesia. The N‐type voltage‐dependent calcium channel (N‐VDCC) is a novel therapeutic target for pain control. In addition to providing effective pain relief when used alone, N‐VDCC blockers produce synergistic analgesia when used in combination with opiates. However, the interaction between N‐VDCC blockers and nonsteroidal anti‐inflammatory drugs (NSAIDs) remains unclear.MethodsUsing isobolographic analysis and composite additive curve analysis, the antinociceptive interaction between ZC88, a selective N‐VDCC blocker and ibuprofen, a classical NSAID, was investigated in two mouse models of visceral and somatic inflammatory pain.ResultsIn the acetic acid writhing test, both ZC88 (10.5–42 mg/kg, intraperitoneally) and ibuprofen (50–200 mg/kg, orally) produced dose‐dependent antinociception, with ED50 values of 27.2 and 100.5 mg/kg, respectively. ZC88 in combination with ibuprofen (ZC88 + ibuprofen) also induced significant antinociception, and isobolographic analysis revealed a synergistic interaction at 50% effect level. The experimental ED50 (ED50 mix) of this combination (34.5 mg/kg) was significantly lower than the theoretical ED50 (ED50 add; 63.8 mg/kg). Additionally, composite additive curve analysis displayed synergistic interaction at other effect levels. In the formalin test, ZC88 or ibuprofen alone significantly reduced late‐phase rather than early‐phase pain, with ED50 values of 31.3 and 123.9 mg/kg, respectively. Similarly, both isobolographic analysis and composite additive curve analysis revealed synergistic antinociception of ZC88 + ibuprofen (40.6 mg/kg of ED50 mix vs. 77.6 mg/kg of ED50 add).ConclusionZC88 in combination with ibuprofen produces synergistic antinociception in mouse models of somatic and visceral inflammatory pain.SignificanceBecause ZC88 + ibuprofen achieves the same antinociceptive effect at lower doses, the use of this combination could result in fewer dose‐related untoward effects. The potentiation of ZC88 on ibuprofen‐induced antinociception indicates that N‐VDCC blocker has potential benefit to treat severe inflammatory pain.
Assessment of the dynamic response of unreinforced masonry structures using a macroelement modeling approach
Authors: Chácara César , Cannizzaro Francesco , Pantò Bartolomeo , Caliò Ivo , Lourenço Paulo B. 
Published: July 2018

SummaryThe seismic performance of unreinforced masonry structures is strongly associated with the interaction between in‐plane and out‐of‐plane mechanisms. The seismic response of these structures has been thoroughly investigated by means of experimental testing, analytical procedures, and computational approaches. Within the framework of the numerical simulations, models based on the finite element method provide a good prediction of the seismic performance of unreinforced masonry structures. However, they usually require a high computational cost and advanced user expertise to define appropriate mechanical properties and to interpret the numerical results. Because of these limitations, simplified models for practical applications have been developed during the last decades. Despite this, a great number of these models focus mostly on the evaluation of the in‐plane response, assuming box (or integral) behavior of the structure. In this paper, a simplified macroelement modeling approach is used to simulate the seismic response of 2 masonry prototypes taking into consideration the combined in‐plane and out‐of‐plane action. The numerical investigations were performed in the static and dynamic fields by using pushover analyses and nonlinear dynamic analyses respectively. The latter is a novel implementation of a model previously developed for static analysis. The results obtained from this study are in good agreement with those provided by a detailed nonlinear continuum FE approach, demonstrating the applicability of this macroelement model with a significant reduction of the computational cost.
Preparation of phosphorus‐containing and nitrogen‐containing durable flame retardant polyacrylonitrile fabric via surface chemical modification
Authors: Ren Yuanlin , Huo Tongguo , Qin Yiwen 
Published: July 2018

SummaryUltraviolet‐induced photografting polymerization combined with surface modification was developed to prepare durable flame retardant polyacrylonitrile (PAN) fabric. First, acrylic acid (AA) was grafted onto PAN fabric (PAN‐g‐PAA) through ultraviolet‐induced photograft polymerization. Then, PAN‐g‐PAA was modified sequentially by acylation, ammonization, and phosphorylation to obtain acylated PAN‐g‐PAA, ammoniated Cl‐PAN‐g‐PAA, and fire retardant PAN fabric, respectively. The influence of grafting time, concentration of acrylic acid, and initiator on the grafting percentage was studied in detail. Fourier transform infrared spectrometer, X‐ray diffraction, and scanning electron microscopy confirm the successful grafting of AA. The thermal properties of the fabrics were investigated by thermogravimetric analysis and differential scanning calorimetry. Thermal analysis indicates that FR‐PAN has good thermal stability at higher temperature and the char residue is about 41 wt% at 800°C. The limiting oxygen index value of the fire retardant fabrics can achieve 28.1 vol% and is still 27.3 vol% after 20 cycles washing, showing good durability.
The effect of sex work regulation on health and well‐being of sex workers: Evidence from Senegal
Authors: Ito Seiro , Lépine Aurélia , Treibich Carole 
Published: July 2018

AbstractSenegal is the only African country where sex work is legal and regulated by a health policy. Senegalese female sex workers (FSWs) are required to register with a health facility and to attend monthly routine health checks aimed at testing and treating sexually transmitted infections (STIs). Compliance to those routine visits is recorded on a registration card that must be carried by FSWs in order to avoid sanctions in case of police arrests. Although this policy was first introduced in 1969 to limit the spread of STIs, there is no evidence so far of its impact on FSWs' health and well‐being. The paper aims to fill this gap by exploiting a unique data set of registered and unregistered Senegalese FSWs. Using propensity score matching, we find that registration has a positive effect on FSWs' health. However, we find that registration reduces FSWs' subjective well‐being. This finding is explained by the fact that registered FSWs are found to engage in more sex acts, in riskier sex acts, have less social support from their peers, and are more likely to experience violence from clients and police officers. We prove that those results are robust to the violation of the conditional independence assumption, to misspecification of the propensity score model, and that covariate balance is achieved. The results suggest that more efforts should be deployed to reduce the stigma associated with registration and to address the poor well‐being of FSWs, which is counterproductive to HIV prevention efforts.
Evaluation of snow water equivalent datasets over the Saint‐Maurice river basin region of southern Québec
Authors: Brown Ross , Tapsoba Dominique , Derksen Chris 
Published: July 2018

AbstractA 10‐km gridded snow water equivalent (SWE) dataset is developed over the Saint‐Maurice River basin region in southern Québec from kriging of observed snow survey data for evaluation of SWE products. The gridded SWE dataset covers 1980–2014 and is based on manual gravimetric snow surveys carried out on February 1, March 1, March 15, April 1, and April 15 of each snow season, which captures the annual maximum SWE (SWEM) with a mean interpolation error of ±19%. The dataset is used to evaluate SWEM from a range of sources including satellite retrievals, reanalyses, Canadian regional climate models, and the Canadian Meteorological Centre operational snow depth analysis. We also evaluate a number of solid precipitation datasets to determine their contribution to systematic errors in estimated SWEM. None of the evaluated datasets is able to provide estimates of SWEM that are within operational requirements of ±15% error, and insufficient solid precipitation is determined to be one of the main reasons. The Climate System Forecast Reanalysis is the only dataset where snowfall is sufficiently large to generate SWEM values comparable to observations. Inconsistencies in precipitation are also found to have a strong impact on year‐to‐year variability in SWEM dataset performance and spread. Version 3.6.1 of the Canadian Land Surface Scheme land surface scheme driven with ERA‐Interim output downscaled by Version 5.0.1 of the Canadian Regional Climate Model was the best physically based model at explaining the observed spatial and temporal variability in SWEM (root‐mean‐square error [RMSE] = 33%) and has potential for lower error with adjusted precipitation. Operational snow products relying on the real‐time snow depth observing network performed poorly due to a lack of real‐time data and the strong local scale variability of point snow depth observations. The results underscore the need for more effort to be invested in improving solid precipitation estimates for use in snow hydrology applications.
Comparison of automatic procedures for selecting flood peaks over threshold based on goodness‐of‐fit tests
Authors: Durocher Martin , Mostofi Zadeh Shabnam , Burn Donald H. , Ashkar Fahim 
Published: July 2018

AbstractIn comparison with the traditional analysis of annual maximums, the peaks over threshold method provides many advantages when performing flood frequency analysis and trend analysis. However, the choice of the threshold remains an important question without definite answers and common visual diagnostic tools are difficult to reproduce on a large scale. This study investigates the behaviour of some automatic methods for threshold selection based on the generalized Pareto model for flood peak exceedances of the threshold and the Anderson–Darling test for fitting this model. In particular, the choice of a critical significance level to define an interval of acceptable values is addressed. First, automatic methods are investigated using a simulation study to assess fitting and prediction performance in a controlled environment. It is shown that P values approximated by an existing table of critical values can speed up computation without affecting the quality of the outcomes. Second, a case study compares automatically and manually selected thresholds for 285 sites across Canada by flood regime and super regions based on site characteristics. Correspondences are examined in terms of prediction of flood quantiles and trend analysis. Results show that trend detection is sensitive to the threshold selection method when studying the evolution of the number of peaks per year. Finally, a hybrid method is developed to combine automatic methods and is calibrated on the basis of super regions. The outcomes of the hybrid method are shown to more closely reproduce the estimates of the manually selected thresholds while reducing the model uncertainty.
The importance of incorporating diurnally fluctuating stream discharge in stream temperature energy balance models
Authors: Baker Emily A. , Lautz Laura K. , Kelleher Christa A. , McKenzie Jeffrey M. 
Published: July 2018

AbstractAlthough stream temperature energy balance models are useful to predict temperature through time and space, a major unresolved question is whether fluctuations in stream discharge reduce model accuracy when not exactly represented. However, high‐frequency (e.g., subdaily) discharge observations are often unavailable for such simulations, and therefore, diurnal streamflow fluctuations are not typically represented in energy balance models. These fluctuations are common due to evapotranspiration, snow pack or glacial melt, tidal influences within estuaries, and regulated river flows. In this work, we show when to account for diurnally fluctuating streamflow. To investigate how diurnal streamflow fluctuations affect predicted stream temperatures, we used a deterministic stream temperature model to simulate stream temperature along a reach in the Quilcayhuanca Valley, Peru, where discharge varies diurnally due to glacial melt. Diurnally fluctuating streamflow was varied alongside groundwater contributions via a series of computational experiments to assess how uncertainty in reach hydrology may impact simulated stream temperature. Results indicated that stream temperatures were more sensitive to the rate of groundwater inflow to the reach compared with the timing and amplitude of diurnal fluctuations in streamflow. Although incorporating observed diurnal fluctuations in discharge resulted in a small improvement in model RMSE, we also assessed other diurnal discharge signals and found that high amplitude signals were more influential on modelled stream temperatures when the discharge peaked at specific times. Results also showed that regardless of the diurnal discharge signal, the estimated groundwater flux to the reach only varied from 1.7% to 11.7% of the upstream discharge. However, diurnal discharge fluctuations likely have a stronger influence over longer reaches and in streams where the daily range in discharge is larger, indicating that diurnal fluctuations in stream discharge should be considered in certain settings.
A New Muscle Memory: Training Systems Engineers in the Agile Culture of Trust
Authors: Fairbairn Sharon Torres 
Published: July 2018

ABSTRACTThe transition to an agile team often causes culture shock for systems engineers who spent their early careers following a waterfall development process. Even agile mindset enthusiasts can experience friction while retraining their “muscle memory” from a waterfall upbringing. One disadvantage is that the prevailing training model for systems engineers still consists more of systematic control than of systemic trust, where trust relates to the quality of the relationships within and among the disciplines involved in an agile engineering effort. The engineering of complex systems involves capricious, uncertain, risky, variable, and evolving (CURVE) problems, so are we adding to the burden by not transforming the way we cultivate systems thinkers? This paper explores agile systems engineering training, behaviors, and a culture of trust as critical enablers to thriving in the CURVE domain.
Restructuring Requirements Analysis Using Model‐Based Systems Engineering and Agile Systems Engineering
Authors: Smith Warren B. , Castro Lymari 
Published: July 2018

ABSTRACTIn 2009, the US Army initiated a large acquisition program to modernize one of its systems. Due to circumstances, the program had to accelerate the system requirements review (SRR) milestone from eighteen months to five months. This paper describes the new agile requirements analysis process used, which accomplished this seventy percent schedule reduction. The process consisted of using model‐based systems engineering (MBSE), storyboarding techniques, collaborative daily analysis of system and subsystems requirements, and the iterative and incremental delivery of requirements which engineers used for the SRR. The paper focuses on the practical application of an agile systems engineering requirements analysis and its benefits to manage caprice, uncertainty, risk, variation, and evolution (CURVE) in a large US Department of Defense (DoD) program while reducing the deployment time.
Overcoming the Challenges of Agile for Globally Distributed Industrial Research
Authors: Smiley Karen J. , Louis Catherine L. , Augustine Vinay , Sharma Saumya , Nistor Iulian , Cordes Andrew , Becker Oliver 
Published: July 2018

ABSTRACTThis paper summarizes the initial experiences and lessons learned while enabling and practicing agile methods at an industrial research lab. Lab staff are highly‐educated personnel who innovate in complex mixed hardware/software systems, software‐intensive systems, hardware components, and systems of systems. We discuss our goals in introducing agile, the challenges we faced with globally distributed industrial research in our capricious, uncertain, risky, variable, and evolving (CURVE) domains, how we addressed these challenges, results and lessons learned to date, and our next steps.