bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhanced properties of photovoltaic devices tailored with novel supramolecular structures based on reduced graphene oxide nanosheets grafted/functionalized with thiophenic materials
Authors: Agbolaghi Samira , Ebrahimi Sara , Massoumi Bakhshali , Abbaspoor Saleheh , Sarvari Raana , Abbasi Farhang 
Published: September 2017

ABSTRACTFor verifying the influence of donor–acceptor supramolecules on photovoltaic properties, different hybrids were designed and used in organic solar cells. In this respect, reduced graphene oxide (rGO) was functionalization with 2‐thiophene acetic acid (rGO‐f‐TAA) and grafted with poly(3‐dodecylthiophene) (rGO‐g‐PDDT) and poly(3‐thiophene ethanol) (rGO‐g‐PTEt) to manipulate orientation of poly(3‐hexylthiophene) (P3HT) assemblies. Face‐on, edge‐on, and flat‐on orientations were detected for assembled P3HTs on rGO and its functionalized and grafted derivatives, respectively. Alteration of P3HT orientation from face‐on to flat‐on enhanced current density (Jsc), fill factor (FF), and power conversion efficiency (PCE) and thus Jsc = 7.11 mA cm−2, FF = 47%, and PCE = 2.14% were acquired. By adding phenyl‐C71‐butyric acid methyl ester (PC71BM) to active layers composed of pre‐designed P3HT/rGO, P3HT/rGO‐f‐TAA, P3HT/rGO‐g‐PDDT, and P3HT/rGO‐g‐PTEt hybrids, photovoltaic characteristics further improved, demonstrating that supramolecules appropriately mediated in P3HT:PC71BM solar cells. Phase separation was more intensified in best‐performing photovoltaic systems. Larger P3HT crystals assembled onto grafted rGOs (95–143 nm) may have acted as convenient templates for the larger and more intensified phase separation in P3HT:PCBM films. The best performances were reached for P3HT:P3HT/rGO‐g‐PDDT:PCBM (Jsc = 9.45 mA cm−2, FF = 54%, and PCE = 3.16%) and P3HT:P3HT/rGO‐g‐PTEt:PCBM (Jsc = 9.32 mA cm−2, FF = 53%, and PCE = 3.11%) photovoltaic systems. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017, 55, 1877–1889
Overcoming barriers to a successful transition from pediatric to adult care
Authors: Goralski Jennifer L. , Nasr Samya Z. , Uluer Ahmet 
Published: September 2017

AbstractAs life expectancy for people with cystic fibrosis (CF) has increased dramatically, so has the need for a guided, structured transition from pediatric to adult‐focused care. A formalized transition program allows for seamless transfer of patients between providers, helping to ensure continuity of care, and avoid potential declines associated with inconsistent medical care. New CF Center guidelines issued by the CFF strongly recommend that each center establish a transition program for age‐appropriate transition to an adult CF clinic. In this article, we explore the remaining barriers to establishing a transition program in a CF Center and offer examples of several successful models. We describe CFF‐sponsored and other initiatives that exist to support centers in establishing a transition program and discuss the need for ongoing research in this area.
Performance of a tracheostomy removal protocol for pediatric patients in rehabilitation after acquired brain injury: Factors associated with timing and possibility of decannulation
Authors: Pozzi Marco , Galbiati Sara , Locatelli Federica , Clementi Emilio , Strazzer Sandra 
Published: September 2017

AbstractObjectivesWe assessed the performance of a tracheostomy decannulation protocol privileging safety over quickness, in pediatric patients undergoing rehabilitation from severe acquired brain injury. We analyzed factors associated with decannulation timing and possibility and examined cases of failure.HypothesisA safe decannulation protocol should minimize failures.Study DesignRetrospective observational study.Patient SelectionPatients aged 0‐17 admitted to rehabilitation with tracheostomy in the last 15 years (n = 123).MethodologyWe collected data on clinical and respiratory conditions at admittance, during the first rehabilitation stay and following follow‐up controls. We described the sample and tested associations of several factors with the possibility to decannulate patients during either the first stay or follow‐up. We described failures, defined as the cases in which tracheostomy tube had to be placed back immediately or after less than 1 month from removal.ResultsAt admittance, 93.5% patients were dysphagic and 37.9% had respiratory complications (mainly accumulation of supraglottic secretions). At first discharge, dysphagia was reduced (62.1%) and respiratory complications increased (41.1%). Tracheostomy was removed during the first stay in 55.3% patients, during follow‐up in 13%, without failures among the 80 patients who followed the protocol. Four decannulations performed against protocol recommendations resulted in three failures. Decannulation was mainly prevented by the persistence of respiratory complications and dysphagia that constituted a relevant risk of aspiration and suffocation; decannulation was mainly postponed because of respiratory complications and breath‐holding spells in very young children.ConclusionsBy applying a decannulation protocol that privileges safety over quickness, we encountered no failure. Respiratory complications and dysphagia that lead to supraglottic stagnation, and breath‐holding spells, are key elements to consider before performing decannulation in pediatric patients.
Lung clearance index (LCI) as a predictor of exercise limitation among CF patients
Authors: Avramidou Vasiliki , Hatziagorou Elpis , Kampouras Asterios , Hebestreit Helge , Kourouki Eleana , Kirvassilis Fotis , Tsanakas John 
Published: September 2017

AbstractIntroductionFEV1 is often considered the gold standard to monitor lung disease in cystic fibrosis (CF). Recently, there has been increasing interest in multiple breath washout (MBW) and cardiopulmonary exercise testing (CPET) as alternative or even more sensitive techniques. However, limited data exist on associations among the above methods.AimTo evaluate the correlations between outcome measures of MBW and CPET and to examine if ventilation inhomogeneity can predict exercise intolerance.Subjects and methodsNinety‐seven children and adults with CF (47 males, mean [range] age 14.9 (6.6; 26.7) years, mean FEV1: 90.8% predicted, mean lung clearance index [LCI]: 11.4, and mean peak oxygen uptake [VO2peak]: 82.4% predicted) performed spirometry, MBW, and CPET on the same day during their admission or outpatient visit.ResultsLCI, m1/m0, and m2/m0 (P < 0.001) as well as VO2peak%, breathing reserve (BR), minute ventilation (VE)/VO2 (P < 0.001), and VE/carbon dioxide release (VCO2) (P = 0.006) correlated significantly with FEV1%. LCI, m1/m0, and m2/m0 correlated with VO2peak (P ≤ 0.001), VE (L/min) (P < 0.05), BR (P < 0.01), VE/VO2 (P < 0.001), and VE/VCO2 (P < 0.01). Multiple regression analysis showed that LCI could predict BR% (P < 0.001, r2:0.272) and VE/VO2 (P < 0.001, r2: 0.207) while LCI and FRC could predict VO2peak% P < 0.001, r2: 0.216) and VE/VCO2 (P < 0.001, r2: 0.226).ConclusionVentilation inhomogeneity as indicated by increased LCI is associated with less efficient ventilation during strenuous exercise and negatively impacts exercise capacity in CF.
Polar Quassinoids in Standardized Eurycoma longifolia Extract Formulated into a Lipid‐Based Solid Dispersion to Improve Rat Sperm Count
Authors: Ma Hai‐Qiu , Ebrahimi Forough , Low Bin‐Seng , Khan Nurzalina Abdul Karim , Chan Kit‐Lam 
Published: September 2017

Eurycoma longifolia Jack is popularly sought in Southeast Asian countries for traditional remedies to improve sexual performance and fertility. 13α(21)‐Epoxyeurycomanone and eurycomanone, two major quassinoids in a root extract (TAF2) were reported to improve rat spermatogenesis and fertility. Unfortunately, these quassinoids possess low bioavailability because of high aqueous solubility and low lipid membrane permeability. Often, other possible barriers may be P‐glycoprotein (P‐gp) efflux in the gut and presystemic hepatic metabolism. The present study attempted to solve these problems by formulating a lipid‐based solid dispersion (TAF2‐SD) of optimized mixture of TAF2 and emulsifiers, which was then orally administered to rats prior to sperm count analysis. The TAF2‐SD‐treated rats showed significantly twofold (p < 0.001) and fourfold (p < 0.001) higher sperm count than did TAF2‐treated and vehicle‐treated (control) rats, respectively. The study also demonstrated no significant in vitro ileal absorption changes of the quassinoids by P‐gp efflux inhibitors and concentration change or secondary metabolite formation upon in vitro incubation with rat liver homogenates, suggesting that P‐gp‐mediated efflux and presystemic metabolism were not limiting their bioavailability. Further study on orally TAF2‐treated rats confirmed that the area under the curve and bioavailability curve of each quassinoid in the absence and presence of ketoconazole were unchanged. Copyright © 2017 John Wiley & Sons, Ltd.
A global potential energy surface and time‐dependent quantum wave packet calculation of Au + H2 reaction
Authors: Yuan Meiling , Li Wentao , Yuan Jiuchuang , Chen Maodu 
Published: September 2017

AbstractA global potential energy surface (PES) corresponding to the ground state of AuH2 system has been constructed based on 22 853 ab initio energies calculated by the multireference configuration interaction method with a Davidson correction. The neural network method is used to fit the PES, and the root mean square error is only 1.87 meV. The topographical features of the novel global PES are compared with previous PES which is constructed by Zanchet et al. (Zanchet PES). The global minimum energy reaction paths on the two PESs both have a well and a barrier. Relative to the Au + H2 reactants, the energy of well is 0.316 eV on the new PES, which is 0.421 eV deeper than Zanchet PES. The calculation of Au(2S) + H2(X1Σg+) → AuH(X1Σ+) + H(2S) dynamical reaction is carried out on new PES, by the time‐dependent quantum wave packet method (TDWP) with second order split operator. The reaction probabilities, integral cross‐sections (ICSs) and differential cross‐sections are obtained from the dynamics calculation. The threshold in the reaction is about 1.46 eV, which is 0.07 eV smaller than Zanchet PES due to the different endothermic energies on the two PESs. At low collision energy (<2.3 eV), the total ICS is larger than the result obtained on Zanchet PES, which can be attributed to the difference of the wells and endothermic energies.
Simulated Raman spectra of four tetraphenylbutadiene polymorphs
Authors: Della Valle Raffaele Guido , Venuti Elisabetta , Salzillo Tommaso , Brillante Aldo , Masino Matteo , Girlando Alberto 
Published: September 2017

AbstractWe report a combined experimental and theoretical investigation on the Raman spectra of the polymorphs α, β, γ, and δ of 1,1,4,4‐tetraphenyl‐1,3‐butadiene (TPB), in the region of the intramolecular modes. The interpretation of the polarized spectra is supported by ab‐initio calculations for the isolated molecules and by lattice dynamics calculations for the crystals. The calculations reproduce the peculiar, and surprisingly large, differences among the spectra of the various polymorphs. The phenyl groups of 1,1,4,4‐tetraphenyl‐1,3‐butadiene may arrange themselves around the butadiene skeleton in 2 stable conformers, which have either inversion (Ci) or 2‐fold (C2) symmetry and therefore exhibit intramolecular vibrations with quite different Raman selection rules and spectra. The compound forms 4 crystalline polymorphs (α, β, γ, and δ) with different combinations of Ci and C2 conformers, and correspondingly different intramolecular spectra. The theoretical calculations provide a quantitative analysis of the various spectra.
Comparison of algorithms for automated femur fracture reduction
Authors: Suero Eduardo M. , Westphal Ralf , Citak Musa , Hawi Nael , Liodakis Emmanouil , Omar Mohamed , Krettek Christian , Stuebig Timo 
Published: September 2017

AbstractPurposeWe designed an experiment to determine the comparative effectiveness of computer algorithms for performing automated long bone fracture reduction.MethodsAutomated reduction of 10 3D fracture models was performed using two computer algorithms, random sample matching (RANSAM) and Z‐buffering (Z‐Buffer), and one of five options of post‐processing: none; iterative closest point algorithm (ICP); ICP‐X1; ICP‐X2; and ICP‐X3. We measured the final alignment between the two fragments for each algorithm and post‐processing option.ResultsThe RANSAM algorithm combined with postprocessing algorithm ICP‐X1 or ICP‐X3 resulted in the most accurate fracture reduction in the translational plane. No discernible difference was observed in the rotational plane. Automated reduction had more accurate translational displacement than telemanipulated manual reductions.ConclusionThis study supports the use of the RANSAM algorithm for automated fracture reduction procedures. The use of ICP algorithms provides further optimization of the initial reduction.
Sequential LMI approach for the design of a BMI‐based robust observer state feedback controller with nonlinear uncertainties
Authors: Wang Yan , Rajamani Rajesh , Zemouche* Ali 
Published: September 2017

SummaryThis paper aims at developing a robust observer–based estimated state feedback control design method for an uncertain dynamical system that can be represented as a linear time‐invariant system connected with an integral quadratic constraint–type nonlinear uncertainty. Traditionally, in existing design methodologies, a convex semidefinite constraint is obtained at the cost of conservatism and unrealistic assumptions. This paper avoids such assumptions and formulates, the design of the robust observer state feedback controller as the feasibility problem of a bilinear matrix inequality (BMI) constraint. Unfortunately, the search for a feasible solution of a BMI constraint is an NP‐hard problem in general. The applicability of a linearization method, such as the variable change method and the congruence transformation, depends on the specific structure of the problem at hand and cannot be generalized. This paper transforms the feasibility analysis of the BMI constraint into an eigenvalue problem and applies the convex‐concave–based sequential linear matrix inequality optimization method to search for a feasible solution. Furthermore, an augmentation of the sequential linear matrix inequality algorithm to improve its numerical stability is presented. In the application part, a vehicle lateral control problem is presented to demonstrate the applicability of the proposed algorithm to a real‐world estimated state feedback control design problem and the necessity of the augmentation for numerical stability.
Green Solid Electrolyte with Cofunctionalized Nanocellulose/Graphene Oxide Interpenetrating Network for Electrochemical Gas Sensors
Authors: Zhang Jing , Jiang Gaopeng , Goledzinowski Maciej , Comeau Felix J. E. , Li Kecheng , Cumberland Timothy , Lenos Jared , Xu Pan , Li Matthew , Yu Aiping , Chen Zhongwei 
Published: September 2017

AbstractA cofunctionalized cellulose/graphene oxide (GO) proton‐conducting solid electrolyte with a 3D interpenetrating network structure is developed in an efficient and green strategy, and successfully applied in an electrochemical gas sensor for the detection of alcohol, namely an alcohol fuel‐cell sensor. With grafted sulfonic acid groups onto the surface of cellulose nanofibers and GO nanosheets, the membrane is endowed with proton conductivity along both the through‐plane and the in‐plane ion‐transport channels. The alcohol fuel‐cell sensor equipped with cofunctionalized cellulose/GO membrane demonstrates great responses to ethanol vapor at different concentrations, showing excellent linearity and sensitivity, as well as low ethanol‐detection limits approaching 25 ppm. This novel concept of developing a cofunctionalized cellulose/GO membrane opens a promising route for the application of ion‐conducting solid electrolyte in electrochemical devices, particularly in electrochemical gas sensors.
Concise Review: Conceptualizing Paralogous Stem-Cell Niches and Unfolding Bone Marrow Progenitor Cell Identities
Authors: Chen Kevin G. , Johnson Kory R. , McKay Ronald D.G. , Robey Pamela G. 
Published: September 2017

Abstract
Lineage commitment and differentiation of skeletal stem cells/bone marrow stromal cells (SSCs/BMSCs, often called bone marrow-derived “mesenchymal stem/stromal” cells) offer an important opportunity to study skeletal and hematopoietic diseases, and for tissue engineering and regenerative medicine. Currently, many studies in this field have relied on cell lineage tracing methods in mouse models, which have provided a significant advancement in our knowledge of skeletal and hematopoietic stem-cell niches in bone marrow (BM). However, there is a lack of agreement in numerous fundamental areas, including origins of various BM stem-cell niches, cell identities, and their physiological roles in the BM. In order to resolve these issues, we propose a new hypothesis of “paralogous” stem-cell niches (PSNs); that is, progressively altered parallel niches within an individual species throughout the life span of the organism. A putative PSN code seems to be plausible based on analysis of transcriptional signatures in two representative genes that encode Nes-GFP and leptin receptors, which are frequently used to monitor SSC lineage development in BM. Furthermore, we suggest a dynamic paralogous BM niche (PBMN) model that elucidates the coupling and uncoupling mechanisms between BM stem-cell niches and their zones of active regeneration during different developmental stages. Elucidation of these PBMNs would enable us to resolve the existing controversies, thus paving the way to achieving precision regenerative medicine and pharmaceutical applications based on these BM cell resources.
Liquid Phase Selective Catalytic Oxidation of Oleic Acid to Azelaic Acid Using Air and Transition Metal Acetate Bromide Complex
Authors: Hajra Bhaskar , Sultana Nazmun , Guria Chandan , Pathak Akhilendra K. , Saxena Vinod K. 
Published: September 2017

AbstractIndustrially important di‐carboxylic acids are synthesized from mono‐carboxylic unsaturated and unsaturated fatty acids. In this study, the aim is to perform the simultaneous catalytic oxidative C=C cleavage of oleic acid (OA) to azelaic acid and pelargonic acid, and oxidation of the terminal methyl group in pelargonic acid to azelaic acid using cobalt‐ and manganese‐acetate as catalyst, hydrogen bromide as co‐catalyst and air in acetic acid at elevated pressure (2.8–5.8 barg) and temperature (353–383 K). Oxygen solubility is determined under varying pressure, temperature and OA loading. The effect of OA loading, pressure and temperature on OA conversion and azelaic acid selectivity is studied by varying one variable at a time; however, the presence of the synergistic effect of the catalyst and co‐catalyst is investigated by central composite design assisted response surface methodology. Oxidation of terminal methyl group in saturated fatty acid is also confirmed by the oxidation of stearic acid to octadecanedioic acid using identical oxidation conditions of OA. Oxidation products of fatty acids are quantified by gas chromatographic analysis. The innovation of the work is thus the ability of the catalytic system to perform a total oxidation of a terminal methyl group of the hydrocarbon chain. OA oxidation kinetics relating to catalyst and co‐catalyst concentration along with oxygen solubility at elevated temperature and pressure is established. The frequency factor and activation energy for OA oxidation is determined using the Arrhenius equation.
Getting off the carousel: Exploring the wicked problem of curriculum reform
Authors: Hawick Lorraine , Cleland Jennifer , Kitto Simon 
Published: September 2017

Introduction Making substantial changes to the form and delivery of medical education is challenging. One reason for this may be misalignment between existing conceptualizations of curricula and curriculum reform in medical education, with the former perceived as ‘complex’ yet the latter as linear. Reframing curriculum reform as a process-driven, complex entity may enhance the possibility of change. To explore the utility of this approach, we carried out an exploratory case study of curriculum reform in a real-life context.
Methods We used a qualitative case study approach. Data were collected from 17 interviews with senior faculty involved in curriculum reform in one medical school plus document analysis of approximately 50 documents and files, to provide background, context, and aid triangulation.
Results Data coding and analysis was initially inductive, using thematic analysis. After themes were identified, we applied the ‘wicked problem’ framework to highlight aspects of the data. This paper focuses on two main analytic themes. First, that multiple players hold different views and values in relation to curriculum reform, resulting in various influences on the process and outcomes of reform. Second, ‘solutions’ generate consequences which go beyond the anticipated advantages of curriculum reform.
Discussion This is the first empirical study of curriculum reform in medical education which uses the wicked problem framework to conceptually illuminate the complex processes which occur in relation to reform. Those involved in reform must be reflective and attentive to the possibility that persistent and emerging challenges may be a result of wicked problems.
Dietary zinc addition influenced zinc and lipid deposition in the fore- and mid-intestine of juvenile yellow catfishPelteobagrus fulvidraco
Authors: Chen Guang-Hui , Hogstrand Christer , Luo Zhi , Zhang Dian-Guang , Ling Shi-Cheng , Wu Kun 
Published: September 2017

AbstractThe present study explored the mechanisms of dietary Zn influencing Zn and lipid deposition in the fore- and mid- intestine in yellow catfishPelteobagrus fulvidraco, and investigated whether the mechanism was intestinal-region dependent. For this purpose, yellow catfish were fed three diets containing Zn levels of 8·83, 19·20 and 146·65 mg Zn/kg, respectively. Growth performance, intestinal TAG and Zn contents as well as activities and mRNA expression of enzymes and genes involved in Zn transport and lipid metabolism in the fore- and mid-intestine were analysed. Dietary Zn increased Zn accumulation as well as activities of Cu-, Zn-superoxide dismutase and ATPase in the fore- and mid-intestine. In the fore-intestine, dietary Zn up-regulated mRNA levels of ZnT1, ZnT5, ZnT7, metallothionein (MT) and metal response element-binding transcription factor-1 (MTF-1), but down-regulated mRNA levels of ZIP4 and ZIP5. In the mid-intestine, dietary Zn up-regulated mRNA levels of ZnT1, ZnT5, ZnT7, MT and MTF-1, but down-regulated mRNA levels of ZIP4 and ZIP5. Dietary Zn reduced TAG content, down-regulated activities of 6-phosphogluconate dehydrogenase (6PGD), glucose-6-phosphate dehydrogenase (G6PD), malic enzyme (ME) and fatty acid synthase (FAS) activities, and reduced mRNA levels of 6PGD, G6PD, FAS, PPARγand sterol-regulator element-binding protein (SREBP-1), but up-regulated mRNA levels of carnitine palmitoyltransferase IA, hormone-sensitive lipase (HSLa), adipose TAG lipase (ATGL) and PPARαin the fore-intestine. In the mid-intestine, dietary Zn reduced TAG content, activities of G6PD, ME, isocitrate dehydrogenase and FAS, down-regulated mRNA levels of 6PGD, G6PD, FAS, acetyl-CoA carboxylase a, PPARγand SREBP-1, but up-regulated mRNA expression of HSLa, ATGL and PPARγ. The reduction in TAG content following Zn addition was attributable to reduced lipogenesis and increased lipolysis, and similar regulatory mechanisms were observed between the fore- and mid-intestine.