bluuebunny/crossref_metadata_2025_split huggingface dataset:
Changes in long‐term water quality of Baltimore streams are associated with both gray and green infrastructure
Authors: Reisinger Alexander J. , Woytowitz Ellen , Majcher Emily , Rosi Emma J. , Belt Kenneth T. , Duncan Jonathan M. , Kaushal Sujay S. , Groffman Peter M. 
Published: July 2018

AbstractThe steadily rising global urban population has placed substantial strain on urban water quality, and this strain is projected to increase for the foreseeable future. Considerable attention has been given to the hydrological and physico‐chemical effects of urbanization on stream ecosystems. However, due to the relative infancy of the field of urban ecology, long‐term water quality analyses in urban streams are sparse. Using a 15‐yr stream chemistry monitoring record from Baltimore, Maryland, we quantified long‐term trends in nitrate, phosphate, total nitrogen, total phosphorus, chloride, and sulfate export at several sites along a rural–urban gradient. We found no significant change in solute export at most sites, although we did find specific patterns of interest for certain solutes. For example, nitrogen export declined at the most headwater urban site, while phosphorus export declined at the most downstream urban site. Coupling long‐term monitoring with data on gray and green infrastructure management throughout the landscape, we established relationships between solute export at the most downstream urban monitoring site and sanitary sewer overflows (SSOs), best management practice (BMP) implementation, and road salt application rates. Phosphorus export was correlated with BMP implementation in the watershed, whereas nitrogen export was related to SSOs. Despite highly urbanized watersheds, water quality does not appear to be declining at most of these sites, suggesting that current management may have limited further impairment. Results of our study suggest that both gray and green infrastructure are key for maintaining and improving water quality in this highly urbanized watershed.
Impact of Surface Electrostatic Potential on Icephobic Properties of Nanoimprinted Flexible Polymer Foils
Authors: Frolet Nathalie , Durret Jérôme , Panabière Marie , Boisseau Sébastien , Gourgon Cécile 
Published: July 2018

AbstractSuperhydrophobic surfaces have been fabricated on flexible fluorinated ethylene propylene (FEP) foils using nanoimprint lithography (NIL) and roughening by plasma etching. The combination of these two techniques results in hierarchical structures and superhydrophobic properties. The icephobic behavior of the surfaces has been studied with measurements of the freezing delay time (FDT) of water droplets on cooled surfaces. It is demonstrated in this paper that the variability of the FDT values is due to the electrostatic surface potential Vs. The impact of this parameter is explored and it is shown that the delay of freezing increases when the surface potential decreases from 0 to −500 V, and decreases for lower surface potentials. This decrease is related to the saturation effect of contact angle, which is well known in electrowetting literature. Contact angles analysis confirms that this saturation effect occurs around −500 V in the present experimental case. The effect of potential surface polarity is also discussed. By optimizing surface potentials of FEP hierarchical structures, it is possible to obtain FDT higher than 40 min at −15 °C.
The invasive cell coat at the microsporidian Trachipleistophora hominis–host cell interface contains secreted hexokinases
Authors: Ferguson Sophie , Lucocq John 
Published: July 2018

AbstractMicrosporidia are obligate intracellular parasites causing significant disease in humans and economically important animals. In parallel to their extreme genetic reduction, Microsporidia have evolved novel mechanisms for exploiting host metabolism. A number of microsporidians confer secretion of otherwise cytosolic proteins by coding for signal peptides that direct entry into the endoplasmic reticulum. The human pathogen Trachipleistophora hominis encodes for four hexokinases, three of which have signal peptides at the N‐terminus. Here, we localized hexokinase 2 and hexokinase 3 through developmental stages of T. hominis using light and electron microscopy. Both proteins were concentrated in an extracellular coat previously termed the plaque matrix (PQM). The PQM (containing hexokinases) was morphologically dynamic, infiltrating the host cytoplasm predominantly during replicative stages. Throughout development the PQM interacted closely with endoplasmic reticulum that was demonstrated to be active in membrane protein biosynthesis and export. The impact of hexokinase on the host metabolism was probed using the fluorescent analog of glucose, 2‐NBDG, which displayed spatially restricted increases in signal intensity at the parasite/vacuole surface, coincident with hexokinase/PQM distribution. Gross metabolic aberrations, measured using metabolic profiling with the Seahorse XF Analyzer, were not detectable in mixed stage cocultures. Overall, these results highlight a role for the extended cell coat of T. hominis in host–parasite interactions, within which secreted hexokinases may work as part of a metabolic machine to increase glycolytic capacity or ATP generation close to the parasite surface.
Minkowski plasticity in 3D frames: Decoupled construction of the cross‐section yield surface and efficient stress update strategy
Authors: Magisano D. , Liguori F.S. , Leonetti L. , Garcea G. 
Published: July 2018

SummaryThis work makes the Minkowski sum of ellipsoids into a consolidated tool for the representation of the yield surface of arbitrarily shaped composite cross sections under axial force and biaxial bending and shows how best to use it within the incremental nonlinear analysis of three‐dimensional frames. A geometric interpretation of each term of the sum allows us to construct complex convex surfaces using a low number of ellipsoids, each of them evaluated in a robust and efficient decoupled manner. Specialized algorithms, which exploit the parameterization of the yield surface in terms of a cross‐section collapse mechanism, are proposed for an efficient stress update based on the elastic predictor–return mapping scheme on a three‐dimensional beam finite element. The derivation of the algorithmic tangent moduli for the Minkowski sum completes the elements required for an efficient path‐following nonlinear analysis. The proposed methodology is general and can be applied for the representation of any zonoid yield surface and the corresponding implicit stress integration to a variety of structural and plasticity models.
Electrospun nanofibrous membranes embedded with aerogel for advanced thermal and transport properties
Authors: Venkataraman Mohanapriya , Mishra Rajesh , Militky Jiri , Xiong Xiaoman , Marek Jaromir , Yao Juming , Zhu Guocheng 
Published: July 2018

The primary purpose of cold weather clothing is to shield the wearer from the extremities of the external environment. The thermal properties of nanofibers and their potential applications have tremendous scope and application in this area. The objective of this study was to investigate the mechanisms of heat transfer through fibrous insulation where the fiber diameter was less than 1 μm. Electrospinning process was used to produce flexible polyurethane and polyvinylidene fluoride nanofibers embedded with silica aerogel. The thermal and transport behavior of the samples was evaluated, and results were statistically analyzed. Presence of aerogel particles were confirmed through microscopic examination. Thermal behavior was investigated by using thermogravimetric analysis and differential scanning calorimetry. The results showed that the polyvinylidene fluoride nanofibrous membranes embedded with aerogel obtained a good thermal stability with lower weight loss than polyurethane nanofibrous membranes. The glass transition and melting point was not affected by the aerogel content in the layers, validating that polymers are not miscible. The increase in duration of electrospinning led to higher web thickness, which resulted in considerable decrease in air permeability. Considerable improvement of thermal insulation was observed by increasing the number and the weight per unit area of both nanofibrous membranes. The results confirmed increase in thermal insulation by embedding silica aerogel in nanofibrous membranes. With reference to the results, it could be concluded that nanofibers embedded with aerogel are good for thermal insulation in cold weather conditions. Thermal insulation battings incorporating nanofibers could possibly decrease the weight and bulk of current thermal protective clothing.
A brief survey of health habits among childhood cancer survivors
Authors: Kappa Sarah S. , Lewis Rebecca W. , Mertens Ann C. , Walsh Stephanie M. , Wasilewski‐Masker Karen , Meacham Lillian R. 
Published: July 2018

AbstractUsing a survey, we assessed four health habits in 468 pediatric cancer survivors. Approximately 75% were at goal for ≥1 behavior—44% were active ≥1 hr per day, 40% engaged in ≤1 hr of screen time a day, 34% consumed sweetened beverages not often, and 4% ate >4 servings of fruits and vegetables per day. Survivors' age was associated with being active (P < 0.001) and limited screen time (P = 0.001). Males were more likely to be active (P = 0.003). The most common combination of goal behaviors was activity and screen time. Encouraging healthy behaviors may decrease the burden of late effects in survivors.
Safety and efficacy of nabilone for acute chemotherapy‐induced vomiting prophylaxis in pediatric patients: A multicenter, retrospective review
Authors: Polito Samantha , MacDonald Tamara , Romanick Marcel , Jupp Jennifer , Wiernikowski John , Vennettilli Ashlee , Khanna Mila , Patel Priya , Ning Winnie , Sung Lillian , Dupuis L. Lee 
Published: July 2018

AbstractObjectivesTo describe the safety and efficacy of nabilone given to pediatric patients to prevent acute chemotherapy‐induced nausea and vomiting (CINV).MethodsA multicenter, retrospective review of pediatric patients who received nabilone for acute CINV prophylaxis between December 1, 2010 and August 1, 2015 was undertaken. One course of nabilone was evaluated per patient. Adverse effects associated with nabilone use were noted. The proportion of patients who experienced complete acute chemotherapy‐induced vomiting (CIV) control during the acute phase was determined. The acute phase was defined as starting with the first chemotherapy dose and continuing until 24 h after administration of the last chemotherapy dose of the chemotherapy block.ResultsOne hundred ten eligible patients (median age: 14.0 years, range: 1.1–18.0 years; 65 male) were identified. Most (109/110) received nabilone plus a 5‐HT3 antagonist for CINV prophylaxis. Adverse effects associated with nabilone were experienced by 34% (37/110) of children. All were of CTCAE Version 4.03 Grade 2 or less. Sedation (20.0%), dizziness (10.0%), and euphoria (3.6%) were the most commonly reported adverse events. Nabilone was discontinued in 10 patients due to an adverse event. The proportions of patients receiving highly or moderately emetogenic chemotherapy who experienced complete acute CIV control were 50.6% (42/83) and 53.8% (14/26), respectively.ConclusionAdverse events associated with nabilone were common but of minor clinical significance. Acute CIV control in children receiving nabilone as a part of their antiemetic regimen was poor. Future work should focus on implementation of guideline‐consistent CINV prophylaxis and treatment.
Preparation and Sensitivity Property of Nitrocellulose/Silica Composite with Silica Gel as Coating Layer
Authors: Meng Xiangjun , Xiao Zhenggang 
Published: July 2018

AbstractThe safety performance of propellants is one of the important issues that must be considered in their application and it is mainly determined by their sensitivity. Thus, the reduction of the sensitivity exhibited by propellants is an effective measure to improve their safety. The sensitivity of traditional propellants is partly resulted from nitrocellulose, and preparation and application of less sensitive nitrocellulose can reduce their sensitivity. However, the nitrocellulose has gained little development from the invention on the sensitivity research. The surface of nitrocellulose was grafted with the silica gel by sol‐gel method to prepare an insensitive nitrocellulose in the paper. The product was characterized by FT‐IR, SEM, XRD, XPS, TGA, DSC and sensitivity tests. Results show that the nitrocellulose surface is coated with the silica gel successfully, and its crystal form is not affected by silica gel. Furthermore, the impact sensitivities of NC/SiO2 composites are reduced significantly in comparison with pure nitrocellulose.
Entropic allostery dominates the phosphorylation‐dependent regulation of Syk tyrosine kinase release from immunoreceptor tyrosine‐based activation motifs
Authors: Feng Chao , Roy Amitava , Post Carol Beth 
Published: July 2018

AbstractSpleen tyrosine kinase (Syk) is an essential player in immune signaling through its ability to couple multiple classes of membrane immunoreceptors to intracellular signaling pathways. Ligand binding leads to the recruitment of Syk to a phosphorylated cytoplasmic region of the receptors called ITAM. Syk binds to ITAM with high‐affinity (nanomolar Kd) via its tandem pair of SH2 domains. The affinity between Syk and ITAM is allosterically regulated by phosphorylation at Y130 in a linker connecting the tandem SH2 domains; when Y130 is phosphorylated, the binding affinity decreases (micromolar Kd). Previous equilibrium binding studies attribute the increase in the binding free energy to an intra‐molecular binding (isomerization) step of the tandem SH2 and ITAM, but a physical basis for the increased free energy is unknown. Here, we provide evidence that Y130 phosphorylation imposes an entropy penalty to isomerization, but surprisingly, has negligible effect on the SH2 binding interactions with ITAM and thus on the binding enthalpy. An analysis of NMR chemical shift differences characterized conformational effects of ITAM binding, and binding thermodynamics were measured from isothermal titration calorimetry. Together the data support a previously unknown mechanism for the basis of regulating protein–protein interactions through protein phosphorylation. The decreased affinity for Syk association with immune receptor ITAMs by Y130 phosphorylation is an allosteric mechanism driven by an increased entropy penalty, likely contributed by conformational disorder in the SH2–SH2 inter‐domain structure, while SH2‐ITAM binding contacts are not affected, and binding enthalpy is unchanged.
Effect of virgin avocado oil on diet‐induced hypercholesterolemia in rats via 1H NMR‐based metabolomics approach
Authors: Tan Chin Xuan , Chong Gun Hean , Hamzah Hazilawati , Ghazali Hasanah Mohd 
Published: July 2018

Hypercholesterolemia is a major risk factor for the initiation and development of nonalcoholic fatty liver disease and atherosclerosis. The present study evaluated the hypocholesterolemic effect of virgin avocado oil (VAO) using urinary metabolomic method. Male Sprague–Dawley rats were fed high‐cholesterol diet for four weeks to induce hypercholesterolemia. After confirming the establishment of hypercholesterolemia model, the VAO (450 and 900 mg·kg−1·day−1) and simvastatin (10 mg·kg−1·day−1) were given orally while maintaining the high‐cholesterol diet for another four weeks. Assessment of urinary metabolomics using NMR revealed that VAO treatment could partially recover the metabolism dysfunction induced by hypercholesterolemia mainly via lipid, energy, amino acid, and gut microbiota metabolism.
Simulating systems with fast and slow dynamics: lessons from the electric power industry
Authors: Ford Andrew 
Published: July 2018

AbstractComplex systems exhibit dynamics across multiple timescales. Strong couplings across timescales can be important, but common practice has been to ignore the couplings. This paper describes my experience modeling electric power systems when clients argued for models including both fast and slow dynamics. Their goals were realism, transparency for policymakers and fast simulations to enable policy design and sensitivity analysis in live workshop settings. I describe different methods developed to meet these needs using five modeling studies conducted over three decades. The studies focused on important policy issues, which are described for context. I summarize the strengths and weaknesses of each method, with emphasis on their applicability beyond the power industry. The paper concludes with an endorsement of a coupled system with a stand‐alone model of fast dynamics to support the design of the long‐term model. The appendices provide details to help those interested in applying the methods.Copyright © 2018 System Dynamics Society
Lewis Acidic Ionic Liquid Immobilized on Graphene Oxide: Synthesis, Characterization, and Application in the Ultrasound‐Assisted Condensation Reactions
Authors: Zand Hamid Reza Esmaili , Ghafuri Hossein , Ghanbari Nastaran 
Published: July 2018

AbstractThe catalytic activity of a novel Lewis acidic Fe(III)/caffeine‐based ionic liquid immobilized on graphene oxide (Caff‐IL‐GO/Fe) was studied in three condensation reactions in water under sonication. This catalyst was characterized by Fourier‐transform infrared spectroscopy, proton nuclear magnetic resonance, thermal gravimetric analysis, energy‐dispersive X‐ray spectroscopy, field emission scanning electron microscopy, powder X‐ray diffraction, and atomic force microscopy. The performance of the synthesized Caff–IL–GO nanocatalyst was investigated in the one‐pot ultrasound‐assisted synthesis of substituted 4H‐pyrans, dihydropyrimidinones and benzimidazoles. The Caff‐IL‐GO/Fe nanocatalyst exhibited excellent activity and delivered corresponding products in high to excellent yields. Additionally, the reusability and stability of the Caff–IL–GO was also investigated. Our study indicated that the nanocatalyst could be reused up to 10 times without any significant loss of activity.
Novel Organic Compounds Containing Nitramine Groups Suitable as High‐Energy Cyclic Nitramine Compounds
Authors: Keshavarz Mohammad Hossein , Abadi Yasin Hayat 
Published: July 2018

AbstractThis work introduces eight novel cyclic nitramine derivatives of energetic compounds as high performance energetic compounds. Assessments of physicothermal, detonation and combustion properties as well as sensitivities with respect to external stimuli impact, friction and shock are done for these compounds. The method of density functional theory (DFT) at B3LYP/6‐31G (d,p) as well as the best available predictive methods are used for prediction of 20 different parameters including crystal density, solid phase heat formation, Gibbs free energy of formation, activation energy, heat of sublimation, melting point, enthalpy of fusion, entropy of fusion, heat of combustion, heat of detonation, temperature of detonation, specific impulse, velocity of detonation, detonation pressure, Gurney velocity, power, brisance, heat sensitivity, impact sensitivity, friction sensitivity and shock sensitivity. These properties are compared with corresponding measured or calculated data of octahydro‐1,3,5,7‐tetranitro‐1,3,5,7‐tetrazocine (HMX) and 2,4,6,8‐tetranitro‐1H,5H‐2,4,6,8‐tetraazabicyclo [3.3.0] octane (BCHMX) as two high performance nitramines. Among the introduced cyclic nitramines, it shown that N,N‐bis(1,3,4,6‐tetranitrooctahydroimidazo[4, 5‐d]imidazol‐2‐yl) nitramide is a good candidate of high performance nitramine where its sensitivity with respect to impact, friction and shock is close to BCHMX.
A Dicobalt Coordination Complex with a Short Cobalt‐Cobalt Distance
Authors: Kumar Jayasree , Gorantla N. V. T. Sai Manoj , Roy Sudipta , Paesch Alexander Noel , Herbst‐Irmer Regine , Stalke Dietmar , Anusha Chakkittakandiyil , De Susmita , Parameswaran Pattiyil , Roesky Herbert W. , Mondal Kartik Chandra 
Published: July 2018

AbstractThe existence of a metal‐metal bond in organometallic and coordination complexes is a very important aspect. Metal‐carbonyl, carbene‐metal‐carbonyl and metal‐carbene complexes were studied for having this feature. Herein, an air stable dark green color dicobalt coordination complex [Co(III)2(hep)3(N3)3] (1) [hepH = 2‐(2‐ethylhydroxy)pyridine] with three μ‐alkoxide bridges has been synthesized and characterized by X‐ray single crystal diffraction, NMR and UV/vis spectroscopy. Complex 1 has a short Co⋅⋅⋅Co distance (2.595(6) Å) and thus it has been studied by theoretical calculations. QTAIM (quantum theory of atoms in molecules) as well as EDA‐NOCV analysis (energy decomposition analysis ‐ natural orbitals for chemical valence) do not indicate any significant metal‐metal interaction. The bonding in 1 can be best represented by the interaction of two alkokxy bridged valence electrons fragment Co(III)(hep)2N3 (3d6) with Co(III)(hep)(N3)2 (3d6) where the donation of the lone pair of electrons from three bridging Ohep‐atoms stabilizes the dinuclear Co(III) complex. Additionally, thermolysis of 1 at 550 oC led to the formation sponge like Co3O4 oxide.
Chiral to Chiral Phase Transition in a Novel Hydrogen Bond Type Molecular Ferroelectric
Authors: Yang Changshan , Tan Yuhui , Wang Changfeng , Chen Shaopeng , Wen Herui , Tang Yunzhi 
Published: July 2018

AbstractAlthough great progress has been made for H‐bonds type molecular ferroelectrics, the systems accompanying with chiral to chiral phase transitions are still very spare. Here we display a new hydrogen bond type molecular ferroelectric, the salt of 1‐(1‐naphthyl) ethylammonium‐nopinate, 1, which undergoes a paraelectric–ferroelectric phase transition around 202 K from one chiral point group (P212121) to another chiral point group (P21). The electric hysteresis loop under 100 K directly indicates it is a potential ferroelectric material with maximum spontaneous polarization (Ps) 2.3 uC/cm2. X‐ray single crystal diffraction analysis shows that the significant hydrogen bond change along the b‐axis direction results net dipole moment and leads to the spontaneous polarization. The exceptional dielectric response in the vicinity of 202 K exhibits remarkable dielectric anomalies along the b‐axis direction than the other two directions. The strong SHG (second harmonic generation) signal (‐1.31) without obvious changes dependence on temperature further confirm the chiral to chiral structural phase transition.
Multifunctional Lanthanide Complexes: Mesomorphism, Photoluminescence and Second Order NLO Property
Authors: Chakrabarty Rupam , Dutta Abhijit , Roy Sushmita , Das Gobinda , Ledoux‐Rak Isabelle , Mondal Paritosh , Prasad Subbarao. K. , Rao Doddamane S. S. , Bhattacharjee Chira R. 
Published: July 2018

AbstractA series of new mononuclear multifunctional lanthanide(III)‐Schiff base complexes have been synthesized and characterized by elemental analyses, FTIR, 1H NMR and UV/Vis spectroscopy. Potentially tridentate, the Schiff‐base ligand is based on a ‘salicyldimine’ core with a long and flexible alkoxy group which coordinates to lanthanide ions in its zwitterionic form via the phenolic‐oxygen with the proton shifted to the imine‐nitrogen. The chelate nitrato groups complete a nine‐coordinate geometry. The ligand is non‐mesomorphic, while coordination to Ln3+ ion induces a liquid crystalline behavior. The complexes exhibited a thermally stable highly viscous partially bilayer smectic Ad phase in the 45‐135°C temperature range. The molecular organization of the complexes in the mesophase is conjectured to be based on a cylindrical‐like dimeric structure with the three alkoxy group pointing up and three pointing down assembling laterally into a lamellae. The Schiff base ligand is a blue light emitter exhibiting a broad emission maximum at 435 nm while the lanthanide complexes show an intense green emission. The Tb3+ complex, interestingly, also showed mesophase luminescence. The ligand and its complexes of La3+, Dy3+ and Yb3+ exhibited a significant second order non‐linear optical (NLO) activity representing the first example of lanthanidomesogens to exhibit such behaviour.