bluuebunny/crossref_metadata_2025_split huggingface dataset:
Global and local POD models for the prediction of compressible flows with DG methods
Authors: Ferrero Andrea , Iollo Angelo , Larocca Francesco 
Published: July 2018

SummaryProper orthogonal decomposition (POD) allows to compress information by identifying the most energetic modes obtained from a database of snapshots. In this work, POD is used to predict the behavior of compressible flows by means of global and local approaches, which exploit some features of a discontinuous Galerkin spatial discretization. The presented global approach requires the definition of high‐order and low‐order POD bases, which are built from a database of high‐fidelity simulations. Predictions are obtained by performing a cheap low‐order simulation whose solution is projected on the low‐order basis. The projection coefficients are then used for the reconstruction with the high‐order basis. However, the nonlinear behavior related to the advection term of the governing equations makes the use of global POD bases quite problematic. For this reason, a second approach is presented in which an empirical POD basis is defined in each element of the mesh. This local approach is more intrusive with respect to the global approach but it is able to capture better the nonlinearities related to advection. The two approaches are tested and compared on the inviscid compressible flow around a gas‐turbine cascade and on the compressible turbulent flow around a wind turbine airfoil.
POxylated Dendrimer‐Based Nano‐in‐Micro Dry Powder Formulations for Inhalation Chemotherapy
Authors: Restani Rita B. , Pires Rita F. , Tolmatcheva Anna , Cabral Rita , Baptista Pedro V. , Fernandes Alexandra R. , Casimiro Teresa , Bonifácio Vasco D. B. , Aguiar‐Ricardo Ana 
Published: July 2018

AbstractPOxylated polyurea dendrimer (PUREG4OOx48)‐based nanoparticles were loaded with paclitaxel (PTX) and doxorubicin (DOX) and micronized with chitosan (CHT) by using supercritical CO2‐assisted spray drying (SASD). Respirable, biocompatible, and biodegradable dry powder formulations (DPFs) were produced to effectively transport and deliver the chemotherapeutics with a controlled rate to the deep lung. In vitro studies performed with the use of the lung adenocarcinoma cell line showed that DOX@PUREG4OOx48 nanoparticles were much more cytotoxic than the free drug. Additionally, the DPFs did not show higher cytotoxicity than the respective nanoparticles, and DOX‐DPFs showed a higher chemotherapeutic effect than PTX formulations in adenocarcinoma cells.
Effectiveness of risk minimization measures for the use of cilostazol in United Kingdom, Spain, Sweden, and Germany
Authors: Castellsague Jordi , Poblador‐Plou Beatriz , Giner‐Soriano Maria , Linder Marie , Scholle Oliver , Calingaert Brian , Bui Christine , Arana Alejandro , Laguna Clara , Gonzalez‐Rubio Francisca , Roso‐Llorach Albert , Prados‐Torres Alexandra , Perez‐Gutthann Susana 
Published: July 2018

AbstractPurposeThe purpose of the study is to evaluate the effectiveness of risk minimization measures—labeling changes and communication to health care professionals—recommended by the European Medicines Agency for use of cilostazol for the treatment of intermittent claudication in Europe.MethodsObservational study of cilostazol in The Health Improvement Network (United Kingdom), EpiChron Cohort (Spain), SIDIAP (Spain), Swedish National Databases, and GePaRD (Germany).Among new users of cilostazol, we compared the prevalence of conditions targeted by the risk minimization measures in the periods before (2002‐2012) and after (2014) implementation. Conditions evaluated were prevalence of smoking, cardiovascular conditions, concurrent use of ≥2 antiplatelet agents, concurrent use of potent CYP3A4/CYP2C19 inhibitors and high‐dose cilostazol, early monitoring of all users, and continuous monitoring of users at high cardiovascular risk.ResultsWe included 22 593 and 1821 new users of cilostazol before and after implementation of risk minimization measures, respectively. After implementation, the frequency of several conditions related to the labeling changes improved in all the study populations: prevalence of use decreased between 13% (EpiChron) and 57% (SIDIAP), frequency of cardiovascular contraindications decreased between 8% (GePaRD) and 84% (EpiChron), and concurrent use of high‐dose cilostazol and potent CYP3A4/CYP2C19 inhibitors decreased between 6% (Sweden) and 100% (EpiChron). The frequency of other conditions improved in most study populations, except smoking, which decreased only in EpiChron (48% reduction).ConclusionsThis study indicates that the risk minimization measures implemented by the EMA for the use of cilostazol have been effective in all European countries studied, except for smoking cessation before initiating cilostazol, which remains an area of improvement.
Using project‐based learning with Venezuelan teachers to enhance teacher attitudes about school‐based drug abuse prevention: A control‐group comparison study
Authors: Amesty Elvia , Páez Doris 
Published: July 2018

AbstractBecause teachers have regular access to youth, they have the potential of playing a significant role in health promotion and drug abuse prevention strategies. The purpose of this study was to investigate the effect of training and encouraging project‐based learning methods on Venezuelan teachers’ attitudes toward school‐based drug abuse prevention programs. Specifically, an experimental group of grades 4–9 teachers received direct training in project‐based learning strategies and drug prevention content. Their attitudes were compared to those of a wait‐list control group. A key finding showed that the experimental group reported a more favorable attitude toward the effectiveness of school‐community drug prevention strategies. Additionally, teachers in the experimental group reported that the program increased (1) the school's relationship with the community, (2) parental involvement, and (3) their own awareness of the significant role teachers can play in students’ drug abuse prevention. As a very preliminary exploration of this topic, the paper also discusses study limitations, future research directions, and how this work relates to the broader concept of internationalization.
Investigation about the complexation of trimethylammonium‐derived pillar[5]arene with indole and azaindole derivatives
Authors: Montecinos Rodrigo , Diaz‐Wilson Fernanda , Bravo‐Sepulveda Alexis , Salas Cristian O. , Recabarren‐Gajardo Gonzalo , Nome Faruk 
Published: July 2018

AbstractIndoles and azaindoles are very interesting heterocycles found in naturally occurring and synthetic molecules exhibiting several biological activities associated with its physicochemical properties. Here, we report a study about the inclusion complex formation between trimethylammonium‐derived pillar[5]arene (P5A) with indole and azaindole derivatives by NMR and molecular dynamics simulations. Our results indicate that indole forms the most stable inclusion complex of the hosts, with its benzene fragment incorporated near to the centre of the cavity. On the other hand, 5‐azaindole presents a weaker interaction with P5A, orienting preferentially the pyrrole moiety toward the host cavity. 7‐Azaindole switches between two conformations with the pyridine fragment incorporated inside the cavity. Based on these results, we believe these preliminary study of how the guest structure modifies the structure of the inclusion complexes, and the molecular recognition can be further used in the preparation of new functional supramolecular systems including drug delivery systems.
A Novel Method for Gas Generation Law Calculation of Fractured Propellant Charge
Authors: Li Chao , Rui Xiaoting , Wang Yan , Zhao Xin 
Published: July 2018

AbstractAimed at the problem that the gas generation law of fractured propellant charge cannot be calculated by geometry method accurately due to various shapes and sizes of fractured propellant charge, a method for calculating the equivalent form function of fractured propellant charge based on the initial dynamic vivacity ratio theory is proposed. The equivalent form functions of propellant charge with different fracture degrees are deduced from this method on the basis of the initial dynamic vivacity ratio test results. Based on the equivalent form functions of propellant charge with different fracture degrees, the relationship between the maximum bore pressure in tank gun and the initial dynamic vivacity ratio of the fractured propellant charge at the bottom of projectile is established, which lays a theoretical foundation for the criteria of propellant charge launch safety.
Neovascular Age‐Related Macular Degeneration: A Visual Acuity Model of Natural Disease Progression and Ranibizumab Treatment Effect
Authors: Mulyukov Zufar , Weber Sebastian , Pigeolet Etienne , Clemens Andreas , Lehr Thorsten , Racine Amy 
Published: July 2018

Intravitreal ranibizumab is a first‐line therapy for neovascular age‐related macular degeneration (nAMD), but there is a need to optimize patient outcomes while minimizing treatment burden. Here, we developed an indirect response, nonlinear, mixed effects model of disease progression and drug effect in anti‐vascular endothelial growth factor (VEGF) treatment‐naïve patients. A total of 1,524 treatment‐naïve patients and 29,754 visual acuity observations from the ANCHOR, MARINA, PIER, and EXCITE clinical trials informed the model. The model accurately described natural nAMD disease progression and predicted mean visual acuity gains in the HARBOR study, notably with a 2.0 mg ranibizumab dose not used for model development. Furthermore, individualized treatment regimens were shown by simulation to be a viable alternative to the commonly used pro re nata or fixed monthly dosing regimen approaches. Therefore, this model could be a useful tool to predict the outcomes of different, more patient‐tailored treatment regimens in nAMD.
Robust ‐gain codesign of networked control systems
Authors: Sun Wei , Zeng Zhitao , Luo Chengchuan , Nguang Sing‐Kiong 
Published: July 2018

SummaryThis paper examines the problem of codesigning a robust
‐gain networked control system along with the network's properties such as sampling interval, service rate, and packet dropout. On the basis of the generalized integral inequality of Bessel‐Legendre inequality approach, sufficient conditions for the existence of a robust
‐gain controller that incorporates the network's properties are derived and expressed in terms of linear matrix inequalities. Finally, two examples are used to illustrate the effectiveness of the proposed methodology.
Bank‐derived material dominates fluvial sediment in a suburban Chesapeake Bay watershed
Authors: Cashman Matthew J. , Gellis Allen , Sanisaca Lillian Gorman , Noe Gregory B. , Cogliandro Vanessa , Baker Anna 
Published: July 2018

AbstractExcess fine sediment is a leading cause of ecological degradation within the Chesapeake Bay watershed. To effectively target sediment mitigation measures, it is necessary to identify and quantify the delivery of sediment sources to local waterbodies.This study examines the contributions of sediment sources within Upper Difficult Run, a suburbanized watershed in Fairfax County, Virginia. A source sediment library was constructed from stream banks, forest soils, and road dust. Target sediments were collected from fine channel deposits and suspended sediment during 16 storm events from 2008 to 2012. Apportionment of targets to sources was performed using Sed_SAT, a publicly available toolkit for sediment fingerprinting.Bed sediment was dominated by stream bank material (mean: 98%), with minor contributions from forests (2%). Suspended fine sediments were also dominated by stream banks (suspended sediment concentration‐weighted mean: 91%), with minor contributions from roads (8%) and forests (<1%). Stream banks dominated at all discharges, and on the rising limb and at peak flow, sediment concentrations increased due to bank material rather than surface erosion.Sediment budget data indicated that direct bank erosion was insufficient to account for the suspended load derived from stream banks. However, bank‐derived sediment re‐mobilized from in‐channel storage could account for this difference and, combined, resulted in a sediment delivery ratio of 0.847 for all bank‐derived sediments.Results demonstrate that stream bank erosion is responsible for the majority of fine sediment in this suburban watershed of the Chesapeake Bay drainage area. Thus, management actions to control upland sources of sediment may have limited effect on the sediment conditions of Upper Difficult Run, whereas efforts focusing on bank stabilization, channel restoration, and/or stormwater management to reduce bank erosion may improve the ecological condition of these waterbodies.
Telemetry observations of predation and migration behaviour of brown trout (Salmo trutta) smolts negotiating an artificial lake
Authors: Schwinn Michael , Baktoft Henrik , Aarestrup Kim , Lucas Martyn C. , Koed Anders 
Published: July 2018

AbstractEutrophication of coastal areas as a consequence of the agricultural use of fertilizers is a widespread problem. The development of artificial lakes and constructed wetlands in nutrient‐rich rivers is a widely used management tool in the fight to decrease eutrophication. Juvenile salmonids that have to negotiate these lakes during their downstream migration to the sea are commonly subjected to high mortality due to increased predation pressure and delayed passage. In this study, we double tagged 39 brown trout smolts with passive integrated transponder and radio tags to gain further insight into predation rates and migration patterns during their passage of an artificial lake in a Danish lowland stream in the spring of 2016. Thirty‐four of the tagged smolts, caught and released upstream, entered the lake, of which 22 (65%) successfully exited the lake. Four smolts (12%) returned upstream to the river. Three smolts were predated in the lake by two northern pike (Esox lucius). Three tags were recovered from the lake bottom, and two disappeared out of the study area after a last detection in the lake. Tracking the smolts manually and by automatic listening stations showed highly erratic movement patterns during lake passage. Further, we observed long delays of up to 27 days after the smolts reached the river mouth and before they entered the sea, potentially due to low sea water temperature or due to the stocking of a large amount of hatchery‐reared brown trout smolts. The results are discussed in the context of abiotic and biotic factors, which differed considerably in the year 2016 compared with previous years.
Fostering students’ epistemic agency through the co‐configuration of moth research
Authors: Stroupe David , Caballero Marcos D. , White Peter 
Published: July 2018

AbstractWe argue that students should take on roles as epistemic agents—those who shape knowledge production and practices of a community. In this study, the research team—a science educator and two scientists—worked with a sixth‐grade teacher to provide 90 students with opportunities to take up epistemic agency over a 22‐day unit about moth ecology. We used cultural historical activity theory (CHAT) to analyze the co‐configuration of activity. During planning, tensions arose among the research team around how and why to position students as epistemic agents, while still attending to meaningful science questions. During instruction, students prompted the constant negotiation of epistemic roles and practices as they acted on shifting agentic participation structures.
Room Temperature Synthesis of BiOI/Bi5O7I p–n Heterojunction with Enhanced Photocatalytic Activity for 17α‐Ethynylestradiol
Authors: Wang Shan , Chen Yu , Long Yanju , Li Lingxin , Wang Lulu , Zhang Sifeng , Jiang Fengzhi 
Published: July 2018

AbstractA p‐n heterojunction photocatalyst BiOI/Bi5O7I has been synthesized via a mixed solvent method at room temperature. The physical and chemical properties of as‐prepared composites were characterized by XRD, SEM, TEM, XPS, UV‐vis DRS, BET and PL. The photocatalytic performance of BiOI/Bi5O7I composite was evaluated by the photocatalytic decomposition of 17α‐ethinylestradiol (EE2) under visible light irradiation. The results revealed that the BiOI/Bi5O7I composite showed enhanced photocatalytic activity compared to pure BiOI and pure Bi5O7I. The mass ratio of BiOI/Bi5O7I and effect of pH value for photocatalytic activity of BiOI/Bi5O7I composite were investigated. Moreover, the photocatalytic mechanism of the degradation process was thoroughly elucidated. The enhanced photocatalytic performance of the BiOI/Bi5O7I composite should be attributed to fabrication of BiOI/Bi5O7I p‐n heterojunction, which was responsible for efficient separation and transfer of electron‐hole pairs.
Synthesis of 2‐Aryl‐ and 2‐Haloarylbenzimidazole‐N1‐acetamido Conjugates and a Preliminary Evaluation of Their Antifungal Properties
Authors: Abdel‐Wahab Sherief M. , Abdelsamii Zakaria K. , Abdel‐Fattah Hanan A. , El‐Etrawy Abdallah S. , Dawe Louise N. , Swaroop Toreshettahally R. , Georghiou Paris E. 
Published: July 2018

AbstractA series of new 2‐arylbenzimidazole‐N‐1 acetamido conjugates have been synthesized and characterized. Their antifungal activities were evaluated against fluconazole‐resistant C. albicans and A. fumigatus by the inhibition zone technique and were compared with the standard amphotericin B. Minimum inhibitory concentrations were determined for the most potent compounds, after preliminary structure‐activity analysis. Based upon these results a sub‐set of twelve ethylglycinyl ester conjugates bearing fluoro, chloro or bromo substituents on the 2‐phenyl moiety were examined for structure‐activity relationships using an agarose diffusion method employing a hypersensitive Sacharomyces cerevisiae strain. None of these compounds however showed significant activity at the concentrations tested. Single‐crystal X‐ray determinations were conducted on two of the newly synthesized compounds and were compared with DFT computational analysis.
2,2′,6,6′‐Tetraisopropylbenzidine‐Based Sterically Encumbered Ditopic C2‐Symmetric Ligand Systems and Supramolecular Building Blocks
Authors: Jangir Ritambhara , Kaleeswaran Dhananjayan , Murugavel Ramaswamy 
Published: July 2018

AbstractStarting from 2,2′,6,6′‐tetra‐isopropylbenzidine (TBZ), a family of sterically encumbered pseudo‐C2‐symmetric based ligand systems and supramolecular building blocks have been synthesized. Schiff base scaffolds (iPr)4(C6H2)2(NAr′)2 (1‐9) (Ar′=‐CH(C6H4)(OH) (1); ‐CH(C6H2)(Me)2(OH) (2); ‐CH(C6H2)(tBu)2(OH) (3); ‐CH(C6H2)(tBu)(Br)(OH) (4); ‐CH(C6H3)(OMe)(OH) (5); ‐CH(C6H4)(4‐OH) (6); ‐CH(2‐Py) (7); ‐CH(3‐Py) (8); ‐CH(4‐Py) (9)), (iPr)4(C6H2)2(NH(C)(CH)(CO)Me2)2 (10), (NH2(iPr)4(C6H2)2)2(N(C)(CH)(C)N)Me2 (11), (NH2(iPr)4(C6H2)2N(CO)(C6H4)(CH2) (12) and (iPr)4(C6H2)2(N(CO)(C6H4)(CH2))2 (13) have been assembled through condensation of TBZ with the corresponding formyl compounds. TBZ was also further employed to synthesize two carboxylic acid derivatives, ((iPr)4(C6H2)2(N(CH2COOH)2)2) (14) and ((iPr)4(C6H2)2(COOH)2) (16), both potential connector ligands for MOFs. To explore main group chemistry aspects of TBZ, bis‐ and tetra‐trimethylsilyl derivatives (iPr)4(C6H2)2(R)2 (R=(‐NH(SiMe3))2 (17) and (‐N(SiMe3)2)2 (18)) have been synthesized. The bis‐dichlorophosphine derivative ((iPr)4(C6H2)2(N(PCl2)2)2) (19), a compound with promising chemistry for P‐based covalent organic frameworks, has been synthesized by a solvent‐free reaction of TBZ with excess PCl3.
Pressure‐Induced Amorphization of MOF‐5: A First Principles Study
Authors: Erkartal Mustafa , Durandurdu Murat 
Published: July 2018

AbstractAmorphous metal‐organic frameworks (MOFs) and the amorphization of crystalline MOFs under mechanical stimuli are attracting considerable interest in last few years. However, we still have limited knowledge on their atomic arrangement and the physical origin of crystalline‐to‐amorphous phase transitions under mechanical stimuli. In this study, ab initio simulations within a generalized gradient approximation are carried out to investigate the high‐pressure behavior of MOF‐5. Similar to the previous experimental findings, a pressure‐induced amorphization is observed at 2 GPa through the simulations. The phase transformation is an irreversible first order transition and accompanied by around 68% volume collapse. Remarkably, the transition arises from local distortions and, contrary to previous suggestions, does not involve any bond breaking and formation. Additionally, a drastic band gap closure is perceived for the amorphous state. This study has gone some way towards enhancing our understanding of pressure‐induced amorphization in MOFs.
The Comprehensive Understanding of as an Evaluation Parameter for Electrochemical Water Splitting
Authors: Wei Chao , Xu Zhichuan J. 
Published: July 2018

AbstractComparing the overpotential required to reach the current density of (per geometric area of an electrode) (η@) is a popular method of ranking electrocatalysts for water‐splitting reactions, i.e., the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER). However, such methodology is, in essence, not reasonable for studying the intrinsic chemistry difference of electrocatalysts. To have a rational understanding of η@, here, its historical origin and its limitations on reflecting the intrinsic electrocatalytic activity are discussed. The η@ is a valid practical parameter to assess water‐splitting devices, but it cannot determine whether a particular electrocatalyst is intrinsically active or not.
Health is wealth: Concern for households’ solid waste self‐disposal practices
Authors: Onanuga Margaret Yejide , Odunsi Oluwafemi 
Published: July 2018

AbstractThis study examines the challenges posed by solid waste by assessing the disposal methods practiced by residents in the Ijebu‐Ode Local Government Area (LGA) in Ogun State, Nigeria. Primary data were obtained through questionnaire administration. One out of every 10 houses was selected for sampling in six randomly selected wards of Ijebu‐Ode LGA. Three hundred and twelve questionnaires were administered on heads of households. Information elicited from the respondents covered solid waste disposal practices, the rationales behind those practices, and the respondents’ perceptions of environmental problems, including environmental health problems that could emanate from such practices. Data on environmental problems and environmental health problems measured on a 5‐point Likert scale were analyzed using Aggregate Weighted Mean Index. The computed Environmental Problem Indices (EPIs) and Environmental Health Problem Indices (EHPIs) were used to determine the severity of the respective challenges. The results established that blockage of drains with an EPI of 4.15 was a very severe environmental problem and flood hazard with an EPI of 3.55 was a severe environmental problem resulting from solid waste disposal practices. Incidence of malaria and cholera, with EHPIs of 2.85 and 2.56, respectively, were however ranked as not severe environmental health problems. The study concluded that solid waste disposal practices in Ijebu‐Ode LGA were unhygienic and unsafe, hence the need for government intervention to ensure the adoption of the necessary measures toward a safe and healthy environment.