bluuebunny/crossref_metadata_2025_split huggingface dataset:
Water‐Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase
Authors: Fox Jerome M. , Kang Kyungtae , Sastry Madhavi , Sherman Woody , Sankaran Banumathi , Zwart Peter H. , Whitesides George M. 
Published: March 2017

AbstractThis study uses mutants of human carbonic anhydrase (HCAII) to examine how changes in the organization of water within a binding pocket can alter the thermodynamics of protein–ligand association. Results from calorimetric, crystallographic, and theoretical analyses suggest that most mutations strengthen networks of water‐mediated hydrogen bonds and reduce binding affinity by increasing the enthalpic cost and, to a lesser extent, the entropic benefit of rearranging those networks during binding. The organization of water within a binding pocket can thus determine whether the hydrophobic interactions in which it engages are enthalpy‐driven or entropy‐driven. Our findings highlight a possible asymmetry in protein–ligand association by suggesting that, within the confines of the binding pocket of HCAII, binding events associated with enthalpically favorable rearrangements of water are stronger than those associated with entropically favorable ones.
Alignment of Amorphous Iron Oxide Clusters: A Non‐Classical Mechanism for Magnetite Formation
Authors: Sun Shengtong , Gebauer Denis , Cölfen Helmut 
Published: March 2017

AbstractDespite numerous studies on the nucleation and crystallization of iron (oxyhydr)oxides, the roles of species developing during the early stages, especially primary clusters and intermediate amorphous particles, are still poorly understood. Herein, both ligand‐free and ligand‐protected amorphous iron oxide (AIO) clusters (<2 nm) were synthesized as precursors for magnetite formation. Thermal annealing can crystallize the clusters into magnetite particles, and AIO bulk phases with domains of pre‐aligned clusters are found to be direct precursors to crystals, suggesting a non‐classical aggregation‐based pathway that differs from the reported oriented attachment or particle accretion mechanisms.
Fluorinated Sulfilimino Iminiums: Efficient and Versatile Sources of Perfluoroalkyl Radicals under Photoredox Catalysis
Authors: Daniel Marion , Dagousset Guillaume , Diter Patrick , Klein Pierre‐André , Tuccio Béatrice , Goncalves Anne‐Marie , Masson Géraldine , Magnier Emmanuel 
Published: March 2017

AbstractReported herein is the use of S‐perfluoroalkyl sulfilimino iminiums as a new source of RF radicals under visible‐light photoredox catalysis (RF=CF3, C4F9, CF2Br, CFCl2). These shelf‐stable perfluoroalkyl reagents, readily prepared on gram scale from the corresponding sulfoxide using a one‐pot procedure, allow the efficient photoredox‐induced oxyperfluoroalkylation of various alkenes using fac‐Ir(ppy)3 as the photocatalyst. Importantly, spin‐trapping/electron paramagnetic resonance experiments were carried out to characterize all the radical intermediates involved in this radical/cationic process.
Hydrophobic coating of mica by piranha solution activation, silanization grafting, and copolymerization with acrylate monomers
Authors: Wang Linlin , Liu Yuelong , Liu Gousheng 
Published: March 2017

ABSTRACTHydrophobic mica particles were prepared by piranha solution activation, silanization, and copolymerization with acrylate monomers. Its surface morphology, hydrophilic properties, and thermogravimetric analysis changed differently in comparison with those of pristine mica. Scanning electron microscopy (SEM) showed that the modified (001) mica surface changed from flat to coarse. Thermogravimetric curves demonstrated that silane coupling agents and the grafted polymer were anchored on the modified‐mica surface. The alternating surface polarity state was verified by different dispersion performances in the solvents. SEM images showed that the polypropylene (PP)/modified‐mica composites had a better quality compatibility than the PP/untreated‐mica composites. The PP/polymer‐grafted‐mica composites had improved mechanical properties, including stretching, tension, and impact properties. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44985.
Selenium supplementation modulates apoptotic processes in thyroid follicular cells
Authors: Nettore Immacolata C. , De Nisco Emma , Desiderio Silvio , Passaro Carmela , Maione Luigi , Negri Mariarosaria , Albano Luigi , Pivonello Rosario , Pivonello Claudia , Portella Giuseppe , Ungaro Paola , Colao Annamaria , Macchia Paolo E. 
Published: March 2017

AbstractSelenium (Se) is an essential micronutrient modulating several physiopathological processes in the human body. The aim of the study is to characterize the molecular effects determined by Se‐supplementation in thyroid follicular cells, using as model the well‐differentiated rat thyroid follicular cell line FRTL5. Experiments have been performed to evaluate the effects of Se on cell growth, mortality and proliferation and on modulation of pro‐ and antiapoptotic pathways. The results indicate that Se‐supplementation improves FRTL5 growth rate. Furthermore, Se reduces the proportion of cell death and modulates both proapoptotic (p53 and Bim) and antiapoptotic (NF‐kB and Bcl2) mRNA levels. In addition, incubation with high doses of Na–Se might prevent the ER‐stress apoptosis induced by tunicamycin, as assessed by membrane integrity maintenance, reduction in caspase 3/7 activities, and reduction in Casp‐3 and PARP cleavage. Taken together, these results provide molecular evidences indicating the role of Se supplementation on cell death and apoptosis modulation in thyroid follicular cells. These observations may be useful to understand the effects of this micronutrient on the physiopathology of the thyroid gland. © 2016 BioFactors, 43(3):415–423, 2017
Peer Exploitation: Findings from a Romanian National Representative Sample of Children Living in Long‐Term Residential Centres
Authors: Rus Adrian V. , Stativa Ecaterina , Butterfield Max E. , Pennings Jacquelyn S. , Parris Sheri R. , Burcea Gabriel , Wenyika Reggies 
Published: March 2017

This study emphasises different facets of peer exploitation awareness and experience identified in closed‐type institutions, including a couple of abusive behaviours that have not been previously identified in long‐term residential centres.‘Emphasises different facets of peer exploitation awareness and experience identified in closed‐type institutions’A national representative sample of 1391 children (743 boys and 648 girls) seven to 20 years of age living in 44 long‐term residential centres was analysed to identify the prevalence of awareness and experience of peer exploitation. Multilevel logistic regression models were used to identify the predictors of peer exploitation experience.In total, 40.1 per cent of children reported that they were aware of peer exploitation, and 28.5 per cent that they were victims of such exploitation. Additionally, it was shown that (a) children who reported past abuse by a staff member were more likely to be victims of exploitation than those who did not; and (b) an increased number of children in a dorm room predicted a decrease in the odds of peer exploitation experience.This study provides a picture of the developmental environment for children in Romanian orphanages in the late 1990s, prior to subsequent child protection reforms, and underlines the prevalence of exploitation and the risk factors for peer exploitation in closed institutional systems. Copyright © 2017 John Wiley & Sons, Ltd.Key Practitioner Messages

Four in ten (40%) institutionalised children reported that they were aware of at least one form of peer exploitation, and nearly three in ten (28.5%) reported experiencing at least some of these types of exploitation practices by their older peers.
This study highlights the importance of understanding the complex milieu that comprised the daily lives of institutionalised children in Romania, including an environment that consisted of physical abuse by institution staff and awareness and experiences of exploitation.
Prejudice in interreligious context: The role of metaprejudice and majority–minority status
Authors: Putra Idhamsyah Eka , Wagner Wolfgang 
Published: March 2017

AbstractSamples of two hundred forty‐five majority Sunny Muslims, 87 Ahmadiyya Muslims, and 145 Christians were used to investigate the determinants and mediators of prejudice in interreligious context in Indonesia. First, the study extends the idea of in‐group and out‐group metaprejudice; both of which were found to mediate the relationship between perceived quality of intergroup relationship and personal prejudice. Second, we expected that majority members are more likely to reject a minority and that a minority is more likely to more strongly reject another minority than the majority for self‐serving reasons. Additionally, the Sunni majority will prejudice and reject the Ahmadiyya minority more than the Christian minority due to the strained religious relation between the two Muslim groups. The hypotheses were confirmed. The findings are discussed in the context of stereotyping, and prejudice dynamics in other intergroup conflicts and ways of coping with such conflict are suggested.
Iridium–PNP Pincer Complexes for Methanol Dehydrogenation at Low Base Concentration
Authors: Prichatz Christoph , Alberico Elisabetta , Baumann Wolfgang , Junge Henrik , Beller Matthias 
Published: March 2017

AbstractA catalytic system based on an iridium–PNP complex was developed for the aqueous‐phase reforming of methanol. Investigations revealed higher activity at low base concentrations and higher stability at high base concentrations as an opposing trend relative to that of known Ru and Fe PNP‐pincer‐containing systems for methanol dehydrogenation. During mechanistic investigations it was possible to identify a CO containing derivate of the deactivation species.
Simultaneous Activation–Exfoliation–Reassembly to Form Layered Carbon with Hierarchical Pores
Authors: Ong Wei Li , Wong Judith Hui Min , Ng Serene Wen Ling , Tan Hui Ru , Lim Yee Fun , Ho Ghim Wei 
Published: March 2017

AbstractCurrently, the production of hierarchical 2 D layered carbon is mostly limited by low yields, laborious processing, and the high tendency for reaggregation. Hence, it is still a challenge to attain stable porous carbon structures with a well‐preserved layered structure and hierarchical pores. Here, we demonstrate a facile and simultaneous activation–exfoliation–reassembly technique to perform structural modification and pore tailoring of carbonaceous matrices conveniently. Various pore creations can be realized concurrently from in‐plane micro‐/mesopores by chemical activation, expansion of intersheet mesopores, and interconnectivity of the layered structure to form 3 D macropores. Finally, a proof‐of‐concept demonstration of the combination of hierarchical macro‐/micro‐/mesoporous layered carbon structure and TiO2 nanosheets shows promising adsorption and catalytic properties.
Oxygen Reduction to Water by a Cofacial Dimer of Iron(III)–Porphyrin and Iron(III)–Phthalocyanine Linked through a Highly Flexible Fourfold Rotaxane
Authors: Mihara Nozomi , Yamada Yasuyuki , Takaya Hikaru , Kitagawa Yasutaka , Aoyama Shin , Igawa Kazunobu , Tomooka Katsuhiko , Tanaka Kentaro 
Published: March 2017

AbstractA μ‐oxo‐dinuclear iron complex of a supramolecular porphyrin–phthalocyanine conjugate was synthesized and its catalytic electrochemical oxygen reduction properties were investigated. In the conjugate, porphyrin and phthalocyanine units were connected to form a cofacial dimeric structure through a flexible fourfold rotaxane linkage, which was advantageous for accommodating small substrates between the iron centers. The conjugate showed efficient catalytic properties, at more positive potentials than those of other reported dinuclear porphyrinoid iron complexes, to selectively afford water through a four‐electron reduction process.
A General Non‐Radioactive ATPase Assay for Chromatin Remodeling Complexes
Authors: Stanton Benjamin Z. , Hodges Courtney , Crabtree Gerald R. , Zhao Keji 
Published: March 2017

AbstractChromatin remodeling complexes couple the energy released from ATP hydrolysis to facilitate transcription, recombination, and repair mechanisms essential for a wide variety of biologic responses. While recombinant expression of the regulatory subunits of these enzymes is possible, measuring catalytic (ATPase) activity of the intact complexes recovered from normal or mutant cells is critical for understanding their mechanisms. SWI/SNF‐like remodeling complexes can be megadaltons in size and include many regulatory subunits, making reconstitution of purified subunits challenging for recapitulating in vivo function. The protocol in this article defines the first highly quantitative ATPase assay for intact remodeling complexes that does not require radiation or reconstitution of recombinantly expressed subunits. This protocol is specifically useful for defining the catalytic role of active‐site mutations in the context of other regulatory subunits and quantitatively rank‐ordering inactivating catalytic‐site mutations. © 2017 by John Wiley & Sons, Inc.
Delay guaranteed MDP scheduling scheme for HCCA based on 802.11p protocol in V2R environments
Authors: Zhang Bing , Ma Maode , Liu Chunfeng , Shu Yantai 
Published: March 2017

SummaryIn recent years, the vehicular ad hoc network has attracted worldwide attention from academe and industry. Many researches have been executed to improve the quality of services (QoS) of the intelligent transportation system. However, current existing channel access schemes at the medium access control layer specified in 802.11 protocol, including hybrid coordination function control channel access (HCCA) and enhanced distributed channel access, could not efficiently achieve the QoS requirements in some special situations. This paper proposes a delay guaranteed HCCA (DG‐HCCA) scheduling scheme, which works based on a Markov decision process model and the measurement of historic performance, to guarantee the QoS enhanced data transmission for vehicles to roadside unit. Besides, this paper also presents a performance analysis model to systematically evaluate the system performance of the channel utility and the average delay. The performance of the proposed delay guaranteed HCCA scheduling scheme is compared with that of original HCCA scheme specified in 802.11p standard and other 2 HCCA improved schemes by the simulation experiments. The simulation results demonstrate that the proposed solution could highly fulfill the transmission delay requirements with a better channel utility and less loss rates than those by the standard HCCA scheme and other 2 schemes.
Climate drives fire synchrony but local factors control fire regime change in northern Mexico
Authors: Yocom Kent Larissa L. , Fulé Peter Z. , Brown Peter M. , Cerano‐Paredes Julián , Cornejo‐Oviedo Eladio , Cortés Montaño Citlali , Drury Stacy A. , Falk Donald A. , Meunier Jed , Poulos Helen M. , Skinner Carl N. , Stephens Scott L. , Villanueva‐Díaz José 
Published: March 2017

AbstractThe occurrence of wildfire is influenced by a suite of factors ranging from “top‐down” influences (e.g., climate) to “bottom‐up” localized influences (e.g., ignitions, fuels, and land use). We carried out the first broad‐scale assessment of wildland fire patterns in northern Mexico to assess the relative influence of top‐down and bottom‐up drivers of fire in a region where frequent fire regimes continued well into the 20th century. Using a network of 67 sites, we assessed (1) fire synchrony and the scales at which synchrony is evident, (2) climate drivers of fire, and (3) asynchrony in fire regime changes. We found high fire synchrony across northern Mexico between 1750 and 2008, with synchrony highest at distances <400 km. Climate oscillations, especially El Niño‐Southern Oscillation, were important drivers of fire synchrony. However, bottom‐up factors modified fire occurrence at smaller spatial scales, with variable local influence on the timing of abrupt, unusually long fire‐free periods starting between 1887 and 1979 CE. Thirty sites lacked these fire‐free periods. In contrast to the neighboring southwestern United States, many ecosystems in northern Mexico maintain frequent fire regimes and intact fire–climate relationships that are useful in understanding climate influences on disturbance across scales of space and time.
Upscaling site‐scale ecohydraulic models to inform salmonid population‐level life cycle modeling and restoration actions – Lessons from the Columbia River Basin
Authors: Wheaton Joseph M. , Bouwes Nicolaas , Mchugh Peter , Saunders Carl , Bangen Sara , Bailey Phillip , Nahorniak Matt , Wall Eric , Jordan Chris 
Published: March 2017

AbstractWith high‐resolution topography and imagery in fluvial environments, the potential to quantify physical fish habitat at the reach scale has never been better. Increased availability of hydraulic, temperature and food availability data and models have given rise to a host of species and life stage specific ecohydraulic fish habitat models ranging from simple, empirical habitat suitability curve driven models, to fuzzy inference systems to fully mechanistic bioenergetic models. However, few examples exist where such information has been upscaled appropriately to evaluate entire fish populations. We present a framework for applying such ecohydraulic models from over 905 sites in 12 sub‐watersheds of the Columbia River Basin (USA), to assess status and trends in anadromous salmon populations. We automated the simulation of computational engines to drive the hydraulics, and subsequent ecohydraulic models using cloud computing for over 2075 visits from 2011 to 2015 at 905 sites. We also characterize each site's geomorphic reach type, habitat condition, geomorphic unit assemblage, primary production potential and thermal regime. We then independently produce drainage network‐scale models to estimate these same parameters from coarser, remotely sensed data available across entire populations within the Columbia River Basin. These variables give us a basis for imputation of reach‐scale capacity estimates across drainage networks. Combining capacity estimates with survival estimates from mark–recapture monitoring allows a more robust quantification of capacity for freshwater life stages (i.e. adult spawning, juvenile rearing) of the anadromous life cycle. We use these data to drive life cycle models of populations, which not only include the freshwater life stages but also the marine and migration life stages through the hydropower system. More fundamentally, we can begin to look at more realistic, spatially explicit, tributary habitat restoration scenarios to examine whether the enormous financial investment on such restoration actions can help recover these populations or prevent their extinction. Copyright © 2017 John Wiley & Sons, Ltd.
A social–ecological approach to assessing and managing poaching by recreational fishers
Authors: Bergseth Brock J , Williamson David H , Russ Garry R , Sutton Stephen G , Cinner Joshua E 
Published: March 2017

Effective conservation depends upon people's compliance with regulations, yet non‐compliance (eg poaching) is often the rule rather than the exception. Poaching is often clandestine and socially undesirable, requiring specialized, multidisciplinary approaches for assessment and management. We estimated poaching by recreational fishers in no‐fishing reserves of Australia's Great Barrier Reef Marine Park (GBRMP) by conducting social surveys and quantifying derelict (lost or discarded) fishing gear. Our study revealed that (1) between 3–18% of fishers admitted to poaching within the past year, (2) poaching activities were often concentrated at certain times (holidays) and in specific places (poaching hotspots), and (3) fishers’ primary motivations to poach were the perception of higher catches in reserves and a low probability of detection. Our results suggest that extolling certain ecological benefits of marine reserves where enforcement capacity is low could lead to the perverse outcome of encouraging non‐compliance. Our combined social–ecological approach revealed that even in an iconic marine park such as the GBRMP, poaching levels are higher than previously assumed, which has implications for effective management.
Comparison of the Efficacy Between Two Micro‐Operative Therapies of Old Patients With Osteoporotic Vertebral Compression Fracture: A Network Meta‐Analysis
Authors: Zhang Yilong , Shi Litao , Tang Peifu , Zhang Lihai 
Published: March 2017

ABSTRACTOsteoporotic vertebral compression fracture (OVCF) afflicts most aged people. Except for conservative therapy (CT), percutaneous vertebroplasty (PVP) and percutaneous kyphoplasty (PKP) are another two the common choices, but current evaluation of their efficacy is not performed. All the trial data were originated from electronic database including PubMed, Embase, and Cochrane Library. Four indicators with mean difference (MD) or odd ratio (OR) with their 95% credible interval (95% CrI) were analyzed to evaluate the efficacy, including the value of visual analog scale (VAS), Oswestry disability index (ODI), relieving kyphotic angle (KA), and rate of fracture. Besides, the results were demonstrated in the forest plots and slash tables. Furthermore, the surface under the cumulative ranking curve (SUCRA) was calculated. A total of 32 trials among 2,852 patients are included. Using network comparison, we found that PKP and PVP both have good performance as OVCF treatments. However, in different aspects, PKP seemed to be the best to eliminate pain with high value of SUCRA on ODI and VAS (0.624 and 0.588, respectively), and PVP had better performance in KA and decreasing incidence of fracture. The micro‐operative therapy, both PKP and PVP, had better efficacy than CT in four aspects. And PKP was better in pain alleviating, according to VAS and ODI results, while PVP had the superiority in KA and reducing the incidence of fracture. J. Cell. Biochem. 118: 3205–3212, 2017. © 2017 Wiley Periodicals, Inc.
Muscle wasting in young patients with dilated cardiomyopathy
Authors: Hajahmadi Marjan , Shemshadi Sara , Khalilipur Ehsan , Amin Ahmad , Taghavi Sepideh , Maleki Majid , Malek Hadi , Naderi Nasim 
Published: March 2017

AbstractBackgroundMuscle wasting can be accelerated by chronic diseases such as heart failure and is one of the major causes of disability, morbidity, and mortality in this population. We aimed to investigate the incidence of muscle wasting and its associated factors in dilated cardiomyopathy patients younger than 55 years of age.MethodsBetween April 2014 and December 2015, all symptomatic patients with a diagnosis of non‐ischaemic dilated cardiomyopathy who were referred to heart failure clinic were included in our study.Dual energy X‐ray absorptiometry was used to evaluate body composition and identify muscle wasting. Muscle mass was calculated as the ratio of an individual's total lean mass of legs and arms (also called appendicular skeletal muscle) to their squared height (kg/m2). The muscle mass values of less than 5.45 kg/m2 for women and 7.26 kg/m2 for men were considered low.ResultsA total of 55 patients (32 male) were included. The mean (standard deviation) of age was 37.3 (10.1) years, and the mean of left ventricular ejection fraction was 21.4%. Most of the patients were in the New York Heart Association classes of II and II–III. Twenty‐six patients (47.3%) met criteria for muscle wasting. Patients with muscle wasting had lower left ventricular ejection fraction, lower 6‐min walk distance, and higher New York Heart Association function class and hospitalization rate.ConclusionsWe concluded that muscle wasting might be present in younger patients with heart failure, particularly in those who are in worse clinical condition.