bluuebunny/crossref_metadata_2025_split huggingface dataset:
Entropy‐based critical reaction time for mixing‐controlled reactive transport
Authors: Chiogna Gabriele , Rolle Massimo 
Published: August 2017

AbstractEntropy‐based metrics, such as the dilution index, have been proposed to quantify dilution and reactive mixing in solute transport problems. In this work, we derive the transient advection dispersion equation for the entropy density of a reactive plume. We restrict our analysis to the case where the concentration distribution of the transported species is Gaussian and we observe that, even in case of an instantaneous complete bimolecular reaction, dilution caused by dispersive processes dominates the entropy balance at early times and results in the net increase of the entropy density of a reactive species. Successively, the entropy of the reactant decreases until it vanishes. We show the existence of a unique critical value of dilution, which corresponds to the complete consumption of one of the reactants. This critical dilution index is independent of advective and dispersive processes, and depends only on the dimensionality of the problem, on the stoichiometry of the reaction and on the initial concentrations of the reactants. Furthermore, we provide simple analytical expressions to compute the critical reaction time, i.e., the time at which the critical dilution index is reached, for selected flow configurations. Our results show that, differently from the critical dilution index, the critical reaction time depends on solute transport processes such as advection and hydrodynamic dispersion.
Modeling sediment transport with an integrated view of the biofilm effects
Authors: Fang H. W. , Lai H. J. , Cheng W. , Huang L. , He G. J. 
Published: August 2017

AbstractMost natural sediment is invariably covered by biofilms in reservoirs and lakes, which have significant influence on bed form dynamics and sediment transport, and also play a crucial role in natural river evolution, pollutant transport, and habitat changes. However, most models for sediment transport are based on experiments using clean sediments without biological materials. In this study, a three‐dimensional mathematical model of hydrodynamics and sediment transport is presented with a comprehensive consideration of the biofilm effects. The changes of the bed resistance mainly due to the different bed form dynamics of the biofilm‐coated sediment (biosediment), which affect the hydrodynamic characteristics, are considered. Moreover, the variations of parameters related to sediment transport after the biofilm growth are integrated, including the significant changes of the incipient velocity, settling velocity, reference concentration, and equilibrium bed load transport rate. The proposed model is applied to evaluate the effects of biofilms on the hydrodynamic characteristics and sediment transport in laboratory experiments. Results indicate that the mean velocity increases after the biofilm growth, and the turbulence intensity near the river bed decreases under the same flow condition. Meanwhile, biofilm inhibits sediment from moving independently. Thus, the moderate erosion is observed for biosediment resulting in smaller suspended sediment concentrations. The proposed model can reasonably reflect these sediment transport characteristics with biofilms, and the approach to integration of the biological impact could also be used in other modeling of sediment transport, which can be further applied to provide references for the integrated management of natural aqueous systems.
The impact of conventional space‐time aggregation on the dynamics of continuous‐time rainfall
Authors: Sansom John , Bulla Jan , Carey‐Smith Trevor , Thomson Peter 
Published: August 2017

AbstractRainfall is a continuous‐time phenomenon typically characterized by precipitation states such as rain, showers, and dry whose dependence varies over a variety of space‐time scales. Here attention is focused on the effective identification of rain and shower precipitation states over a region where these states have been determined by a hidden semi‐Markov model of continuous‐time precipitation. The states identified provide an accurate description of precipitation dynamics and can be regarded as close proxies to synoptic weather types of the same name. The stochastic properties and structure of these states (rather than precipitation amounts) are explored and delineated. A primary objective of the paper is to better understand the impact of conventional space‐time aggregation on the dynamics of rainfall. What aggregation time scales result in more faithful descriptions of the space‐time dynamics of continuous‐time rainfall? While rain might be expected to be more spatially coherent than showers and involve longer time scales, dry periods involve much longer time and space scales again than either rain or showers. These issues are discussed and conclusions drawn which provide guidance and insights useful for the development of space‐time precipitation models and, more generally, the design of rainfall observation networks and data archives.
Dosimetric and radiobiological comparison for quality assurance of IMRT and VMAT plans
Authors: Paudel Nava Raj , Narayanasamy Ganesh , Han Eun Young , Penagaricano Jose , Mavroidis Panayiotis , Zhang Xin , Pyakuryal Anil , Kim Dongwook , Liang Xiaoying , Morrill Steven 
Published: August 2017

AbstractIntroductionThe gamma analysis used for quality assurance of a complex radiotherapy plan examines the dosimetric equivalence between planned and measured dose distributions within some tolerance. This study explores whether the dosimetric difference is correlated with any radiobiological difference between delivered and planned dose.MethodsVMAT or IMRT plans optimized for 14 cancer patients were calculated and delivered to a QA device. Measured dose was compared against planned dose using 2‐D gamma analysis. Dose volume histograms (for various patient structures) obtained by interpolating measured data were compared against the planned ones using a 3‐D gamma analysis. Dose volume histograms were used in the Poisson model to calculate tumor control probability for the treatment targets and in the Sigmoid dose–response model to calculate normal tissue complication probability for the organs at risk.ResultsDifferences in measured and planned dosimetric data for the patient plans passing at ≥94.9% rate at 3%/3 mm criteria are not statistically significant. Average ± standard deviation tumor control probabilities based on measured and planned data are 65.8±4.0% and 67.8±4.1% for head and neck, and 71.9±2.7% and 73.3±3.1% for lung plans, respectively. The differences in tumor control probabilities obtained from measured and planned dose are statistically insignificant. However, the differences in normal tissue complication probabilities for larynx, lungs‐GTV, heart, and cord are statistically significant for the patient plans meeting ≥94.9% passing criterion at 3%/3 mm.ConclusionA ≥90% gamma passing criterion at 3%/3 mm cannot assure the radiobiological equivalence between planned and delivered dose. These results agree with the published literature demonstrating the inadequacy of the criterion for dosimetric QA and suggest for a tighter tolerance.
Impact of Disease Severity, Illness Beliefs, and Coping Strategies on Outcomes in Psoriatic Arthritis
Authors: Howells Laura , Chisholm Anna , Cotterill Sarah , Chinoy Hector , Warren Richard B. , Bundy Christine 
Published: August 2017

ObjectiveLittle is known about how people with psoriatic arthritis (PsA) cope with and manage their condition, but data show that psychological problems are underrecognized and undertreated. The Common Sense Self‐Regulatory Model (CS‐SRM) suggests illness beliefs, mediated by coping, may influence health outcomes. The study aimed to investigate the roles of disease severity, illness beliefs, and coping strategies in predicting depression, anxiety, and quality of life (QoL) in people with PsA. Additionally, we aimed to assess the role of depression and anxiety in predicting QoL.MethodsWe conducted a cross‐sectional observational study, where adults with PsA (n = 179) completed validated measures of predictor (illness beliefs, coping strategies, disease severity) and outcome variables (depression, anxiety, QoL) using an online survey distributed via social media.ResultsThe participants were a community sample of 179 adults with PsA, ages 20 to 72 years (77.1% female). After controlling for disease severity, hierarchical multiple regression models indicated that more negative beliefs about consequences and behavioral disengagement as a coping method predicted levels of depression, and self‐blame predicted anxiety. Beliefs about consequences and the presence of depression predicted quality of life scores after controlling for disease severity.ConclusionThis study offers support for the use of the CS‐SRM in explaining variation on psychological outcomes in individuals with PsA. The illness beliefs and coping strategies identified as predictors in this article are potential targets for interventions addressing PsA‐related distress and QoL.
Strategic Construction of Directly Linked Porphyrin–BODIPY Hybrids
Authors: Xu Lei , Wen Bin , Kim Gakhyun , Kim Taeyeon , Cheng Fei , Zhou Mingbo , Xu Ling , Tanaka Takayuki , Yin Bangshao , Osuka Atsuhiro , Kim Dongho , Song Jianxin 
Published: August 2017

AbstractA powerful and concise synthesis of directly linked porphyrin‐BODIPY hybrids has been demonstrated, which consists of condensation of directly linked meso‐pyrroyl NiII‐porphyrin with arylaldehyde, oxidation with p‐chloranil, and complexation with BF3⋅Et2O. Synthesized hybrids include porphyrin dimer 6Ni, trimers 8Ni, 9Ni, tetramer 12Ni, pentamer 16Ni, hexamer 13Ni, and nonamers 17Ni and 18Ni. The structures of 6Ni, 9Ni and 12Ni were unambiguously confirmed by X‐ray diffraction analysis. Some NiII porphyrins were effectively converted to the corresponding ZnII porphryins. In these hybrids, the pigments are three‐dimensionally arranged with a face‐to‐face dimeric porphyrin unit in a well‐defined manner, featuring their potential as light‐harvesting antenna and functional hosts.
Octacyanidotungstate(IV) Coordination Chains Demonstrate a Light‐Induced Excited Spin State Trapping Behavior and Magnetic Exchange Photoswitching
Authors: Magott Michał , Stefańczyk Olaf , Sieklucka Barbara , Pinkowicz Dawid 
Published: August 2017

AbstractA huge increase in the magnetization of two coordination chains based on tetravalent octacyanidometalates (WIV and MoIV) is observed on irradiation with 436 nm light, while no such behavior is observed for the NbIV analogue. A photomagnetic response based solely on [WIV(CN)8]4− is demonstrated for the first time. The observed behavior is attributed to the light‐induced excited spin state trapping (LIESST) effect at the octacyanidometalate, and to the resulting magnetic exchange ON/OFF photoswitching between the MnII center and the photoinduced high‐spin (S=1) WIV or MoIV centers.
Decacene: On‐Surface Generation
Authors: Krüger Justus , García Fátima , Eisenhut Frank , Skidin Dmitry , Alonso José M. , Guitián Enrique , Pérez Dolores , Cuniberti Gianaurelio , Moresco Francesca , Peña Diego 
Published: August 2017

AbstractAcenes are intriguing molecules with unique electronic properties. The difficulties in their preparation owing to low stability under ambient conditions are apparent because successful syntheses of long unsubstituted acenes are still scarce, in spite of the great attention they have attracted. Only unsubstituted acenes up to heptacene have been isolated in bulk, with nonacene being the largest acene detected to date. Herein we use on‐surface assisted reduction of tetraepoxy decacene precursors on Au(111) as the key step to generate unprecedented decacene which is visualized and its electronic resonances studied by scanning tunneling microscopy (STM) and spectroscopy (STS).
Commonalities and Differences Among Frames: A Unification Model
Authors: Seta John J. , Seta Catherine E. , McCormick Michael 
Published: August 2017

AbstractWe provide a review and a theoretically unifying model of framing effects. Beginning with a review of findings that prospect theory, fuzzy‐trace theory, and traditional dual process models do and do not explain, we develop a model of framing based partly on Bless and Schwarz's (2010) inclusion/exclusion model of assimilation and contrast. Our model is the first of its kind to be applied to all three valence framing manipulations and presents common mechanisms explaining findings in the framing literature that were previously difficult to conceptualize within a single theory (e.g., matching effects and cognitive effort). The model also accounts for why all three framing manipulations are influenced by differences between holistic/contextual versus analytic processing as well as the presence, absence, and direction of effects produced by different versions of framing manipulations. It also predicts contrast effects (Implications and Future Directions section) and applies to manipulations involving a frame and judgmental target. Copyright © 2017 John Wiley & Sons, Ltd.
Systematic review of patient-reported outcome measures in patients with varicose veins
Authors: Aber A , Poku E , Phillips P , Essat M , Buckley Woods H , Palfreyman S , Kaltenthaler E , Jones G , Michaels J 
Published: August 2017

Abstract

Background
Varicose veins can affect quality of life. Patient-reported outcome measures (PROMs) provide a direct report from the patient about the impact of the disease without interpretation from clinicians or anyone else. The aim of this study was to examine the quality of the psychometric evidence for PROMs used in patients with varicose veins.

Methods
A systematic review was undertaken to identify studies that reported the psychometric properties of generic and disease-specific PROMs in patients with varicose veins. Literature searches were conducted in databases including MEDLINE, up to July 2016. The psychometric criteria used to assess these studies were adapted from published recommendations in accordance with US Food and Drug Administration guidance.

Results
Nine studies were included which reported on aspects of the development and/or validation of one generic (36-Item Short Form Health Survey, SF-36®) and three disease-specific (Aberdeen Varicose Vein Questionnaire, AVVQ; Varicose Veins Symptoms Questionnaire, VVSymQ®; Specific Quality-of-life and Outcome Response – Venous, SQOR-V) PROMs. The evidence from included studies provided data to support the construct validity, test–retest reliability and responsiveness of the AVVQ. However, its content validity, including weighting of the AVVQ questions, was biased and based on the opinion of clinicians, and the instrument had poor acceptability. VVSymQ® displayed good responsiveness and acceptability rates. SF-36® was considered to have satisfactory responsiveness and internal consistency.

Conclusion
There is a scarcity of psychometric evidence for PROMs used in patients with varicose veins. These data suggest that AVVQ and SF-36® are the most rigorously evaluated PROMs in patients with varicose veins.
Salcy‐Naphthalene Cobalt Complexes as Catalysts for the Synthesis of High Molecular Weight Polycarbonates
Authors: Viciano Mónica , Muñoz Bianca K. , Godard Cyril , Castillón Sergio , Reyes Manuel L. , García‐Ruiz Mónica , Claver Carmen 
Published: August 2017

AbstractHigh molecular weight polypropylene carbonates were prepared by CO2/propylene oxide copolymerization catalyzed by salcy‐naphthalene cobalt complexes. The introduction of methyl groups in theorthoposition of naphthalene‐based salcy ligands and the catalyst loading in the presence of hexane as a co‐solvent were crucial to enhance the catalytic performance for the production of polycarbonates of high molecular weight.
Nanocrystal‐Assembled Porous Na3MgTi(PO4)3 Aggregates as Highly Stable Anode for Aqueous Sodium‐Ion Batteries
Authors: Zhang Fang , Li Wanfeng , Xiang Xingde , Sun Molong 
Published: August 2017

AbstractAqueous sodium‐ion batteries (SIBs) represent a class of green electrochemical technology for large‐scale storage of sustainable energies such as wind power and solar radiation, owing to their low cost, environmental friendliness, and reliable safety. However, there is still lack of available anode materials for aqueous SIBs. Herein, nanocrystal‐assembled porous Na3MgTi(PO4)3 aggregates are reported as novel anode material for aqueous SIBs. The crystal structure, morphological features, and electrochemical properties have been analyzed with X‐ray diffraction, scanning electron microscopy, transition electron microscopy, cyclic voltammetry, and charge/discharge measurements. As revealed, the material possesses a porous nanostructure composed of 5 nm nanocrystals and mesoporous channels. During Na‐insertion/extraction, it undergoes a one‐step single‐phase reaction mechanism through reversible electrochemistry of the Ti4+/Ti3+ redox couple, showing a rechargeable capacity of 54 mAh g−1 and an average working potential of −0.63 V (vs. Ag/AgCl) at 0.2 C. More importantly, good rate capacity (33 mAh g−1 at 4 C) and excellent cycling performance (94.2 % capacity retention after 100 cycles at 0.5 C) are achieved due to the unique porous nanostructure and robust compositional framework. The finding in this work would create new opportunities for design of low‐cost, long‐cycling aqueous SIBs.
Encapsulating pH‐Responsive Doxorubicin–Phthalocyanine Conjugates in Mesoporous Silica Nanoparticles for Combined Photodynamic Therapy and Controlled Chemotherapy
Authors: Wong Roy C. H. , Ng Dennis K. P. , Fong Wing‐Ping , Lo Pui‐Chi 
Published: August 2017

AbstractDoxorubicin (Dox) was conjugated to a zinc(II) phthalocyanine (ZnPc) through an acid‐cleavable hydrazone linker. This azido‐containing conjugate was then anchored to the nanochannels of an alkyne‐modified mesoporous silica nanoparticle (MSN) system via copper(I)‐catalyzed azide–alkyne cycloaddition. An analogous nanosystem was also prepared by immobilization of a hydrazine‐substituted ZnPc to the MSN followed by coupling with Dox. The release of Dox under acidic conditions was studied in phosphate‐buffered saline. After internalization into human hepatocellular carcinoma HepG2 cells, these nanoparticles showed fluorescence not only for ZnPc, but also for Dox, suggesting that release of Dox was triggered by the acidic intracellular environment. The chemocytotoxic Dox together with singlet oxygen generated upon irradiation on the encapsulated ZnPc in these MSNs could kill the cells effectively. A synergistic cytotoxicity was suggested by a less‐than‐unity combination index. These nanoparticles function as both nanophotosensitizers for photodynamic therapy and as nanoplatforms for pH‐controlled drug release.
Inter‐ and Intramolecular Electron Transfer in Copper Complexes: Electronic Entatic State with Redox‐Active Guanidine Ligands
Authors: Schrempp David F. , Leingang Simone , Schnurr Martin , Kaifer Elisabeth , Wadepohl Hubert , Himmel Hans‐Jörg 
Published: August 2017

AbstractFast and efficient electron transfer in blue copper proteins is realized by a structural harmonization between the CuI and CuII complex pair (“entatic state” model). Herein, we present now a CuI/CuII complex pair with redox‐active guanidine ligands showing almost perfect match between both redox states. By modifying the ligand electron donor strength, the redox chemistry of the copper complex can be controlled to be either metal‐centered or to cross the borderline to ligand‐centered. This work is the first systematic study of complexes with redox‐active ligands within the concept of the entatic state.
Cyclols Revisited: Facile Synthesis of Medium‐Sized Cyclic Peptides
Authors: Mendoza‐Sanchez Rodrigo , Corless Victoria B. , Nguyen Q. Nhu N. , Bergeron‐Brlek Milan , Frost John , Adachi Shinya , Tantillo Dean J. , Yudin Andrei K. 
Published: August 2017

AbstractMedium‐sized rings, particularly the corresponding cyclic peptides, are challenging synthetic targets. In the present study, we report an approach to medium‐sized cyclic peptides through targeted formation and collapse of cyclol intermediates. This methodology operates on β‐amino imides derived from 2,5‐diketopiperazines and offers a straightforward transition from frequently examined scaffolds in drug discovery to a rarely visited class of medium‐sized rings.
Organizational connectivity among the CA1, subiculum, presubiculum, and entorhinal cortex in the rabbit
Authors: Honda Yoshiko , Shibata Hideshi 
Published: August 2017

AbstractThe laminar and topographical organization of connections between the hippocampal formation and parahippocampal regions was investigated in the rabbit following in vivo injection of cholera toxin B subunit as a retro‐ and antero‐grade tracer and biotinylated dextran amine as an anterograde tracer. We confirmed several connectional features different from those of the rat, that is, the rabbit presubiculum received abundant afferents from CA1 and had many reciprocal connections with the entorhinal cortex. On the other hand, we identified many similarities with the rat: both the CA1 and subicular afferents that originated from the entorhinal cortex were abundant; moreover, the presubiculum received many inputs from the subiculum and sent massive projections to the entorhinal cortex. By plotting retrograde and anterograde labels in two‐dimensional unfolded maps of the entire hippocampal and parahippocampal regions, we found that each group of entorhinal cells that project to CA1, subiculum, and presubiculum, and also the termination of the presubiculo‐entorhinal projection, was distributed in band‐like zones in layers II–III, extending across the medial and lateral entorhinal cortex. Our results suggest that the rabbit has a basic connectivity that is common with that of the rat, and also has additional hippocampal–presubicular and entorhino–presubicular connections that may reflect functional evolution in learning and memory.
Electronic Transport of MoS2 Monolayered Flakes Investigated by Scanning Electrochemical Microscopy
Authors: Henrotte Olivier , Bottein Thomas , Casademont Hugo , Jaouen Kevin , Bourgeteau Tiphaine , Campidelli Stephane , Derycke Vincent , Jousselme Bruno , Cornut Renaud 
Published: August 2017

AbstractThe amazing properties of 2D materials are envisioned to revolutionize several domains such as flexible electronics, electrocatalysis, or biosensing. Herein we introduce scanning electrochemical microscopy (SECM) as a tool to investigate molybdenum disulfide in a straightforward fashion, providing localized information regarding the electronic transport within chemical vapor deposition (CVD)‐grown crystalline MoS2 single layers having micrometric sizes. Our investigations show that within flakes assemblies some flakes are well electrically interconnected, with no detectable contact resistance, whereas others are not electrically connected at all, independent of the size of the physical contact between them. Overall, the work shows how the complex electronic behavior of MoS2 flake assemblies (semiconducting nature, contact quality between flakes) can be investigated with SECM.