bluuebunny/crossref_metadata_2025_split huggingface dataset:
Highly porous nanocoatings tailored for inverse nanoparticle‐polymer composites
Authors: Hoffmann Ron , Strodtmann Laura , Thiel Karsten , Sloboda Laura , Urbaniak Tobias , Hubley Austin N. , Hartwig Andreas 
Published: November 2020

AbstractA novel nanoparticle‐polymer composite is proposed, named inverse nanocomposites in this work. First, a rigid percolating scaffold of nanoparticles is formed, which is filled with a matrix and then polymerized. Targeted for use in thin‐film applications, these mesoporous nanoparticle scaffolds are prepared by combining the sol–gel chemistry of functionalized silanes with nanoparticles in dispersions. The nanoparticle coatings have high porosity, low density, good adhesion to the substrate, and interesting non‐classical properties, such as absorbency of highly viscous fluids. The porosity, which can be adjusted by changing the composition and preparation parameters, reaches 75%. The porous scaffold can be infiltrated with various fluids, including acrylic and epoxy monomers and even highly viscous pressure‐sensitive adhesives. If the monomers are polymerized after imbibition, the inverse nanocomposite is formed, consisting of a percolating particle network surrounded by a polymeric binder. Hence, the morphology comprises an interpenetrating system of two co‐continuous phases and not merely particles dispersed in a polymeric phase, as is typical for conventionally prepared nanocomposites.
A study over with four‐parameter Logistic and Gompertz growth models
Authors: Korkmaz Mehmet 
Published: November 2020

AbstractIn this study, in addition to classical Logistic and Gompertz models with three parameters, their growth models with four parameters were given. After that it is searched the effect of these growth models on the choice of appropriate growth model by using two separate data sets. For this purpose, classical Logistic and Gompertz growth models and their growth models with four parameters are compared with some model selection criteria such as such as error sum of squares, coefficient of determination, adjusted coefficient of determination and akaike information criteria. For the data set used in this study, it is found that the results of these growth models with four parameters are better than the results of these growth models. Thus, it is considered that these growth models with four parameters can be used in addition to these classical growth models. In addition, some other growth models with four parameters can be investigated for getting the best model choice. Even Logistic and Gompertz models with five and more parameters can be investigated for getting the best model choice.
Thermal Kinetic Performance and Thermal Safety of 3,3’‐Bis‐Oxadiazole‐5,5’‐Bis‐Methylene Dinitrate
Authors: Li Bingbo , Luo Yiming , Wang Hao , Ju Ronghui , Lei Wei , Zhang Mengmeng 
Published: November 2020

AbstractDSC and TG/DTG were performed to investigate the thermal kinetic performance and thermal safety of 3,3’‐bis‐oxadiazole‐5,5’‐bis‐methylene dinitrate (BODN) under a non‐isothermal condition. The results reveal that the thermal behavior of BODN can be divided into three stages including a melting endothermic process and two decomposition exothermic processes. The apparent activation energy (E) and pre‐exponent parameters (A) of the first exothermic decomposition reaction are 147.45 kJ mol−1 and 1013.77 s−1, and its kinetic equation was obtained from the DSC curves. The self‐accelerating decomposition temperatures (TSADT), thermal ignition temperatures (TTIT), and critical temperatures of the thermal explosion (Tb) to evaluate its thermal stability and safety are 166.41 °C, 178.09 °C, and 204.47 °C, respectively. The positive values of free energy of activation (ΔG≠=135.49 kJ mol−1) indicate that the decomposition process of BODN must proceed under the heating condition.
Using Integrative Modeling Platform to compute, validate, and archive a model of a protein complex structure
Authors: Saltzberg Daniel J. , Viswanath Shruthi , Echeverria Ignacia , Chemmama Ilan E. , Webb Ben , Sali Andrej 
Published: November 2020

AbstractBiology is advanced by producing structural models of biological systems, such as protein complexes. Some systems are recalcitrant to traditional structure determination methods. In such cases, it may still be possible to produce useful models by integrative structure determination that depends on simultaneous use of multiple types of data. An ensemble of models that are sufficiently consistent with the data is produced by a structural sampling method guided by a data‐dependent scoring function. The variation in the ensemble of models quantified the uncertainty of the structure, generally resulting from the uncertainty in the input information and actual structural heterogeneity in the samples used to produce the data. Here, we describe how to generate, assess, and interpret ensembles of integrative structural models using our open source Integrative Modeling Platform program (https://integrativemodeling.org).
Structural motifs in protein cores and at protein–protein interfaces are different
Authors: Hadarovich Anna , Chakravarty Devlina , Tuzikov Alexander V. , Ben‐Tal Nir , Kundrotas Petras J. , Vakser Ilya A. 
Published: November 2020

AbstractStructures of proteins and protein–protein complexes are determined by the same physical principles and thus share a number of similarities. At the same time, there could be differences because in order to function, proteins interact with other molecules, undergo conformations changes, and so forth, which might impose different restraints on the tertiary versus quaternary structures. This study focuses on structural properties of protein–protein interfaces in comparison with the protein core, based on the wealth of currently available structural data and new structure‐based approaches. The results showed that physicochemical characteristics, such as amino acid composition, residue–residue contact preferences, and hydrophilicity/hydrophobicity distributions, are similar in protein core and protein–protein interfaces. On the other hand, characteristics that reflect the evolutionary pressure, such as structural composition and packing, are largely different. The results provide important insight into fundamental properties of protein structure and function. At the same time, the results contribute to better understanding of the ways to dock proteins. Recent progress in predicting structures of individual proteins follows the advancement of deep learning techniques and new approaches to residue coevolution data. Protein core could potentially provide large amounts of data for application of the deep learning to docking. However, our results showed that the core motifs are significantly different from those at protein–protein interfaces, and thus may not be directly useful for docking. At the same time, such difference may help to overcome a major obstacle in application of the coevolutionary data to docking—discrimination of the intramolecular information not directly relevant to docking.
Multiferroic BaCoX2O7 (X = P, As) Compounds with Incommensurate Structural Waves but Collinear Spin Ingredients
Authors: Leclercq Bastien , Arévalo‐López Angel M. , Kabbour Houria , Daviero‐Minaud Sylvie , Pautrat Alain , Basu Tathamay , Colin Claire V. , Das Ranjana‐Rani , David Rénald , Mentré Olivier 
Published: November 2020

AbstractA new paradigm in multiferroics is observed in BaCoX2O7 (X = As, P) compounds. They consist of one dimensional (1D) antiferromagnetic chains undulated by incommensurate structural modulations with unusually large atomic displacive waves, giving a mixed 1D/2D “real” magnetic topology. The magnetic ground state is antiferromagnetic (AFM) with k = [½ 0 0], leading to a nonmodulated collinear spin lattice despite the aperiodic atomic framework, and allows developing spin‐induced multiferroicity below TN. Severe arguments against the identified mechanisms for type‐II multiferroics, i.e., by inverse Dzyaloshinskii–Moriya, exchange striction and spin‐dependent p–d hybridizations, suggest an original scenario in which the atomic waves, the collinear magnetic structure, and magnetic dipole–dipole interactions may interact as crucial ingredients of the spin‐induced ferroelectric phase. Here, the specific role of the Co2+ spin–orbit coupling in the magnetoelectric (ME) phase diagram is demonstrated by comparison with the novel Heisenberg BaFeP2O7 isomorph, similarly structurally modulated. This compound shows a noncollinear modulated AFM ordering, while no ME coupling is detected in its case. Accordingly, both BaCoX2O7 and BaFeP2O7 also undergo metamagnetic transitions above 5–6 T promoted by the modulated distribution of spin exchanges, but the spin‐flop progressive alignment of the spins in the noncollinear spin structure (Fe2+ case) turns into an abrupt flip‐like transition in the uniaxial spin structure (Co2+ case).
Distributed finite‐time output consensus tracking for a class of high‐order nonlinear multiagent systems with the powers of positive odd rational numbers and output constraints
Authors: Liu Jiehan , Wang Chaoli , Ding Zhengtao 
Published: November 2020

SummaryThis article considers the distributed finite‐time output consensus tracking problem for a class of high‐order nonlinear multiagent systems with the powers of positive odd rational numbers and output constraints. First, since the finite‐time tracking design method for a single system with the powers of positive odd rational numbers cannot be extended to the finite‐time consensus tracking for multiagent systems, an especial configuration method of the powers is constructed. Second, a new exponential brake function (EBF) that purely depends on the outputs is proposed to address the asymmetric output constraints directly. By adjusting a related parameter, the large converted value can be avoided when the output approaches the constrained boundaries, which may reduce the control input over a large output scale. Third, given some reasonable assumptions, a distributed finite‐time output consensus tracking controller is proposed to guarantee that the tracking error converges to an adjustable small region around the origin in a finite time and that the output constraints of all subsystems are not violated. The result with output constraints can also be extended to the case without output constraints. Finally, simulation verifications also confirm the benefits and effectiveness of the proposed control methods.
Integrated model‐driven engineering of blockchain applications for business processes and asset management
Authors: Lu Qinghua , Binh Tran An , Weber Ingo , O'Connor Hugo , Rimba Paul , Xu Xiwei , Staples Mark , Zhu Liming , Jeffery Ross 
Published: November 2020

AbstractBlockchain has attracted broad interests to build decentralised applications. A typical class of applications uses blockchain for the management of cross‐organisational business processes as well as assets. However, developing such applications without introducing vulnerabilities is hard for developers, not the least because the deployed code is immutable and can be called by anyone with access to the network. Model‐driven engineering (MDE) helps to reduce those risks, by combining proven code snippets as per the model specification, which is easier to understand than source code. Therefore, in this article, we present an approach for integrated MDE across business processes and asset management (e.g., for settlement). Our approach includes methods for fungible/non‐fungible asset registration, escrow for conditional payment, and asset swap. The proposed MDE approach is implemented in a smart contract generation tool called Lorikeet, and evaluated in terms of feasibility, functional correctness, and cost effectiveness.
Dynamics of a coupled system for nonlinear damped wave equations with variable exponents
Authors: Zennir Khaled , Miyasita Tosiya 
Published: November 2020

AbstractWe consider a coupled system of viscoelastic wave equation with weak, strong damping and power nonlinearity. For a single viscoelastic wave equation, we have already obtained a global solution, its decay rate and finite‐time blow‐up [1]. In this paper, we extend these results to a coupled system. First, we obtain a global solution and derive its decay rate by a decreasing energy. Finally, we apply the concavity method in order to show that the solution blows up in finite time under nonclassic constraint on kernel functions.
Digitalisierung und Nachhaltigkeit durch internationale Ansätze – Beispiele der HAW Hamburg
Authors: Leal Filho Walter , Wolf Franziska , Pohlmann Jennifer 
Published: November 2020

ZusammenfassungDer nachfolgende Beitrag beschreibt, wie Digitalisierung internationale Initiativen im Bereich Nachhaltigkeit unterstützen kann. Hierfür werden ausgewählte Ansätze erörtert, die an der Hochschule für Angewandte Wissenschaften Hamburg umgesetzt werden. Sie machen den Nutzen der Digitalisierung erlebbar und zeigen damit verbundene Chancen auf. Abschließend geben die Autorinnen und Autoren Handlungsempfehlungen, wie das Nachhaltigkeitsbewusstsein in Hochschulen durch die Digitalisierung – und damit verbundene Lehr- und Lerninnovationen – gesteigert werden kann.
Global well-posedness for a rapidly rotating convection model of tall columnar structure in the limit of infinite Prandtl number
Authors: Cao Chongsheng , Guo Yanqiu , Titi Edriss S. 
Published: November 2020

AbstractWe analyze a three-dimensional rapidly rotating convection model of tall columnar structure in the limit of infinite Prandtl number, i.e., when the momentum diffusivity is much more dominant than the thermal diffusivity. Consequently, the dynamics of the velocity field takes place at a much faster time scale than the temperature fluctuation, and at the limit the velocity field formally adjusts instantaneously to the thermal fluctuation. We prove the global well-posedness of weak solutions and strong solutions to this model.
Stratified Large-Amplitude Steady Periodic Water Waves with Critical Layers
Authors: Haziot Susanna V. 
Published: November 2020

AbstractBy means of a conformal mapping and bifurcation theory, we prove the existence of large-amplitude steady stratified periodic water waves, with a density function depending linearly on the streamfunction, which may have critical layers and overhanging profiles. We also provide certain conditions for which these waves cannot overturn.
Analysis of the small chromosomal Prionium serratum (Cyperid) demonstrates the importance of reliable methods to differentiate between mono- and holocentricity
Authors: Baez M. , Kuo Y. T. , Dias Y. , Souza T. , Boudichevskaia A. , Fuchs J. , Schubert V. , Vanzela A. L. L. , Pedrosa-Harand A. , Houben A. 
Published: November 2020

AbstractFor a long time, the Cyperid clade (Thurniceae-Juncaceae-Cyperaceae) was considered a group of species possessing holocentromeres exclusively. The basal phylogenetic position ofPrionium serratum(Thunb.) Drège (Thurniceae) within Cyperids makes this species an important specimen to understand the centromere evolution within this clade. In contrast to the expectation, the chromosomal distribution of the centromere-specific histone H3 (CENH3), alpha-tubulin and different centromere-associated post-translational histone modifications (H3S10ph, H3S28ph and H2AT120ph) demonstrate a monocentromeric organisation ofP. serratumchromosomes. Analysis of the high-copy repeat composition resulted in the identification of two centromere-localised satellite repeats. Hence, monocentricity was the ancestral condition for the Juncaceae-Cyperaceae-Thurniaceae Cyperid clade, and holocentricity in this clade has independently arisen at least twice after differentiation of the three families, once in Juncaceae and the other one in Cyperaceae. In this context, methods suitable for the identification of holocentromeres are discussed.
The Positive Influence of Therapeutic Agent on Relaxivities of Gadolinium-Loaded Liposomal Theranostics
Authors: Wereszczyńska Beata , Zalewski Tomasz 
Published: November 2020

AbstractThis study investigates changes in the MRI contrast properties of Gd(III)-containing paramagnetic liposomes following the incorporation of photosensitizing agent (ZnPc—zinc phthalocyanine). It provides identification of mechanisms responsible for enhancement of proton relaxation rate and hence, the increased both r1 and r2 relaxivities. Five liposomal formulations, containing fatty acids derivatives of Gd(III) salt and hydrophobic ZnPc, were synthesized. NMRD profiles of liposomal solutions (magnetic field range from 0.0002 to 9.4 T) were obtained and Modified Florence model was applied. The contrast properties of the model drug itself was separated from the lipid bilayer deformation influence, caused by its incorporation. The latter resulted, among other, in optimization of an apparent water exchange correlation time. As Gd(III) is located in the outer and inner lipid layers, some of the Gd(III) chelates are localized in aqueous interior of the liposomes, thus their contrasting efficiency depends on the water exchange rate through the membrane. The proposed approach raises the possibility of reducing the amount of potentially harmful contrast media based on gadolinium, by taking into account the increase of the relaxation effect caused by other components of the system.
Electrochemical stability of steel, Ti, and Cu current collectors in water-in-salt electrolyte for green batteries and supercapacitors
Authors: Giurlani Walter , Sergi Luca , Crestini Eugenio , Calisi Nicola , Poli Federico , Soavi Francesca , Innocenti Massimo 
Published: November 2020

AbstractThe electrochemical behaviour of steel, copper, and titanium current collectors was studied in aqueous solutions of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) at various concentrations, from 0.5 up to 20 m. As the concentration of the electrolyte increases, the electrochemical window of water stability widens according to the “water-in-salt” concept. The metal grids have been studied electrochemically, both under anodic and cathodic conditions, by means of cyclic voltammetry and chronoamperometry. Subsequently, a microscopic analysis with SEM and compositional analysis with XPS was carried out to evaluate the surface modifications following electrochemical stress. We found that copper is not very suitable for this kind of application, while titanium and steel showed interesting behaviour and large electrochemical window.
Analytical fragility curves for masonry school building portfolios in Nepal
Authors: Giordano Nicola , De Luca Flavia , Sextos Anastasios 
Published: November 2020

AbstractSchools represent a reference point for communities in any part of the world. Therefore, their safety and resilience against natural catastrophes is of paramount importance. The recent 2015 Gorkha earthquake has unfortunately shown that Nepalese school buildings are highly vulnerable to seismic actions. Most of them are indeed constituted by low-quality unreinforced masonry (URM). The quantification of URM vulnerability is fundamental to estimate the risk associated to school building portfolios at territorial scale. This work discusses statistics available for Nepalese schools and then presents analytical fragility curves for three recurrent URM typologies covering more than 50% of the school building stock. The methodology adopted to derive fragilities is spectral-based and accounts for out-of-plane and in-plane damage potential in a single easy-to-use analytical framework. Inter-building, intra-building and record-to-record variabilities are directly considered in the analysis. The obtained fragilities integrate the studies available for the region and can be used for pre-/post-earthquake risk assessment and prioritization of interventions at country level.
EEG Microstates and Psychosocial Stress During an Exchange Year
Authors: Kadier Nursija , Stein Maria , Koenig Thomas 
Published: November 2020

AbstractThe well-known stress vulnerability model of psychosis assumes that psychotic episodes result from the coincidence of individual trait dispositions and triggering stressors. We thus hypothesized that a transient psychosocial stressor would not only increase the number of and stress caused by psychosis-like symptoms (like delusion-like symptoms or auditory hallucinations) in healthy subjects but also elicit changes in EEG microstates that have been related to the presence of psychotic symptoms in patients with schizophrenia. Considering a radical change of one’s psychosocial environment as a significant stressor, we analyzed psychotic symptoms and EEG microstate data in teenage exchange-students at an early and a later phase of their stay. The subjects experienced a small and transient, but significant increase of stress by psychosis-like symptoms. These changes in mental state were associated with increases in microstate class A, which has previously been related to unspecific stress. microstate classes C and D, which have consistently been found to be altered in patients with psychosis, were found unaffected by the time of the recording and the subjective stress experiences. Therefore, we conclude that microstate class A appears to be a psychosis independent and rather general correlate of psychosocial stress, whereas changes in microstate classes C and D seem to be more specifically tied to the presence of psychotic symptoms.
Mycosphaerangium and Neomelanconium (Cenangiaceae) are closest relatives: phylogenetic relationships, morphology and a new species
Authors: Voglmayr Hermann , Jaklitsch Walter M. , Tello Salvador 
Published: November 2020

AbstractBased on molecular phylogenetic analyses of a multigene matrix of partial nuSSU-ITS-LSU rDNA,RPB1,RPB2andTEF1sequences and by morphological evidence, the genusMycosphaerangiumis shown to be the closest relative ofNeomelanconium, and confirmed to be a member of the Cenangiaceae (Leotiomycetes). WhileMycosphaerangiumandNeomelanconiumshare many traits like similar conidia, conidiogenesis, asci and ascospores, their apothecia differ particularly in excipular features and are therefore recognized as distinct genera.Mycosphaerangium tiliae, described from North America, is excluded from the genus but shown to represent the sexual morph of the EuropeanNeomelanconium gelatosporum, and it is therefore synonymized with the latter. Based on morphology,Neomelanconium deightoniiis assumed to be congeneric withNeomelanconium gelatosporum, and it is lectotypified.Dermatea tetrasporaandPhaeangium magnisporum, the basionyms ofMycosphaerangium tetrasporumandM. magnisporum, respectively, are lectotypified as well, and forM. tetrasporum, the asexual morph is recorded for the first time.Mycosphaerangium quercinumsp. nov. is described as a new species from variousQuercushosts in Europe, where it is shown to be widely distributed. It morphologically and ecologically closely resembles the North AmericanM. tetrasporum, but differs in paraphysis and ascospore morphology and by croziers at its ascus base. The three accepted species ofMycosphaerangiumand the two ofNeomelanconiumare described and illustrated.Mycosphaerangium magnisporum,M. quercinumandM. tetrasporumare recorded to be constantly associated with species ofCoryneum, indicating a fungicolous habit, but no evidence for fungal associations has been found inNeomelanconium deightoniiandN. gelatosporum.