On the relationships among latent variables and residuals in PLS path modeling: The formative-reflective scheme

A new approach for the estimation and the validation of a structural equation model with a formative-reflective scheme is presented. The basis of the paper is a proposal for overcoming a potential deficiency of PLS path modeling. In the PLS approach the reflective scheme assumed for the endogenous latent variables (LVs) is inverted; moreover, the model errors are not explicitly taken into account for the estimation of the endogenous LVs. The proposed approach utilizes all the relevant information in the formative manifest variables (MVs) providing solutions which respect the causal structure of the model. The estimation procedure is based on the optimization of the redundancy criterion. The new approach, entitled redundancy analysis approach to path modeling (RA-PM) is compared with both traditional PLS Path Modeling and LISREL methodology, on the basis of real and simulated data.     

Influence of Nano,Micro, and Macro Topography of Dental Implant Surfaces on Human Gingival Fibroblasts

Current research on dental implants has mainly focused on the influence of surface roughness on the rate of osseointegration, while studies on the development of surfaces to also improve the interaction of peri-implant soft tissues are lacking. To this end, the first purpose of this study was to evaluate the response of human gingival fibroblasts (hGDFs) to titanium implant discs (Implacil De Bortoli, Brazil) having different micro and nano-topography: machined (Ti-M) versus sandblasted/double-etched (Ti-S). The secondary aim was to investigate the effect of the macrogeometry of the discs on cells: linear-like (Ti-L) versus wave-like (Ti-W) surfaces. The atomic force microscopy (AFM) and scanning electron microscopy (SEM) analysis showed that the Ti-S surfaces were characterized by a significantly higher micro and nano roughness and showed the 3D macrotopography of Ti-L and Ti-W surfaces. For in vitro analyses, the hGDFs were seeded into titanium discs and analyzed at 1, 3, and 5 days for adhesion and morphology (SEM) viability and proliferation (Cck-8 and MTT assays). The results showed that all tested surfaces were not cytotoxic for the hGDFs, rather the nano-micro and macro topography favored their proliferation in a time-dependent manner. Especially, at 3 and 5 days, the number of cells on Ti-L was higher than on other surfaces, including Ti-W surfaces. In conclusion, although further studies are needed, our in vitro data proved that the use of implant discs with Ti-S surfaces promotes the adhesion and proliferation of gingival fibroblasts, suggesting their use for in vivo applications.     

Tobramycin Supplemented Small-Diameter Vascular Grafts for Local Antibiotic Delivery: A Preliminary Formulation Study

Peripheral artery occlusive disease is an emerging cardiovascular disease characterized by the blockage of blood vessels in the limbs and is associated with dysfunction, gangrene, amputation, and a high mortality risk. Possible treatments involve by-pass surgery using autologous vessel grafts, because of the lack of suitable synthetic small-diameter vascular prosthesis. One to five percent of patients experience vascular graft infection, with a high risk of haemorrhage, spreading of the infection, amputation and even death. In this work, an infection-proof vascular graft prototype was designed and manufactured by electrospinning 12.5% w/v poly-L-lactic-co-glycolic acid solution in 75% v/v dichloromethane, 23.8% v/v dimethylformamide and 1.2% v/v water, loaded with 0.2% w/w_PLGA. Polymer and tobramycin concentrations were selected after viscosity and surface tension and after HPLC-UV encapsulation efficiency (EE%) evaluation, respectively. The final drug-loaded prototype had an EE% of 95.58% ± 3.14%, with smooth fibres in the nanometer range and good porosity; graft wall thickness was 291 ± 20.82 μm and its internal diameter was 2.61 ± 0.05 mm. The graft’s antimicrobic activity evaluation through time-kill assays demonstrated a significant and strong antibacterial activity over 5 days against Staphylococcus aureus and Escherichia coli. An indirect cell viability assay on Normal Human Dermal Fibroblasts (NHDF) confirmed the cytocompatibility of the grafts.     

Sol–Gel Processing and Characterization of Pure and Metal-Doped SnO2 Thin Films

A chloride-based inorganic sol–gel route was used for preparing pure and metal (osmium, nickel, palladium, platinum)-doped SnO₂ sol. SnCl₄ was first reacted with propanol, then the resulting compound was hydrolyzed and subsequently mixed with solutions of the metal dopants. The obtained sols were used for depositing thin films by spin coating or for preparing powders by solvent evaporation at 110°C. FTIR spectroscopy and thermal analysis of the powders revealed that chlorine still bound to tin stabilized the sol against gelation by hindering the condensation reactions. Film characterizations showed that platinum and palladium, unlike nickel and osmium, were likely to form nanoparticles in the SnO₂ lattice. This result was discussed with regard to the different ways that platinum and palladium, on one hand, and nickel and osmium, on the other, modified the growth of SnO₂ grains and the film roughness and morphology. Dopants that formed nanoparticles (platinum, palladium) resulted in the roughest film, while dopants that did not form particles (nickel, osmium) resulted in SnO₂ grain size very close to that of pure SnO₂.     

Green Biocomposites for Thermoelectric Wearable Applications

The materials commonly used to fabricate thermoelectric devices are tellurium, lead, and germanium. These materials ensure the best thermoelectric performance, but exhibit drawbacks in terms of availability, sustainability, cost, and manufacturing complexity. Moreover, they do not guarantee a safe and cheap implementation in wearable thermoelectric applications. Here, p‐Type and n‐type flexible thermoelectric textiles are produced with sustainable and low‐cost materials through green and scalable processes. Cotton is functionalized with inks made with biopolyester and carbon nanomaterials. Depending on the nanofiller, i.e., graphene nanoplatelets, carbon nanotubes, or carbon nanofibers, positive or negative Seebeck coefficient values are obtained, resulting in a remarkable electrical conductivity value of 55 S cm^?1 using carbon nanotubes. The best bending and washing stability are registered for the carbon nanofiber‐based biocomposites, which increase their electrical resistance by 5 times after repeated bending cycles and only by 30% after washing. Finally, in‐plane flexible thermoelectric generators coupling the best p‐ and n‐type materials are fabricated and analysed, resulting in an output voltage of ≈1.65 mV and a maximum output power of ≈1.0 nW by connecting only 2 p/n thermocouples at a temperature difference of 70 °C.     

Analysis of Conduction-Radiation Heat Transfer in a 2D Enclosure Using the Lattice Boltzmann Method

Application of the lattice Boltzmann method (LBM) recently extended by Pietro et al. [P. Asinari, S. C. Mishra, and R. Borchiellini, A Lattice Boltzmann Formulation to the Analysis of Radiative Heat Transfer Problems in a Participating Medium, Numer. Heat Transfer B, 57(2), 126–146, 2010] for calculation of volumetric radiative information is extended for the analysis of a combined mode transient conduction and radiation heat transfer in a 2D rectangular enclosure containing an absorbing, emitting and scattering medium. Unlike all previous studies, with volumetric radiative information computed using the proposed LBM, the energy equation is formulated and solved using the LBM. In the combined mode conduction–radiation problem, to assess the computational advantage of computing the radiative information too using the LBM, the same problem is also solved using the LBM–finite volume method (FVM) formulation. In this LBM–FVM formulation, the FVM is used to calculate the volumetric radiative information needed for the energy equation, and the energy equation is solved using the LBM. Comparisons are made for the effects of the extinction coefficient, the scattering albedo and the conduction–radiation parameter on the temperature distributions in the medium. Although the number of iterations for the converged solution in LBM–LBM is much more than that of the LBM–FVM, computationally, the LBM–LBM is faster than the LBM–FVM.     

Design of new systems for transfer hydrogenolysis of polychlorinated aromatics with 2-propanol using a Raney nickel catalyst

A multipurpose study deals with the transfer hydrogenolysis of 1,3,5-trichlorobenzene to benzene in the 2-propanol–Raney nickel system in the presence of KOH. At 70 °C, no reaction occurs without KOH or with weaker bases, e.g. amines or poorly soluble inorganic bases; however saturated KOH as well as water over 1% suppress the reaction rate, presumably due to the competitive adsorption of these species on the catalyst. The catalytic activity also drops with time because of the deposition of the solid KCl on the catalyst but can be recovered at washing the catalyst with water. The deactivation by KCl can be mitigated with the addition of promoters, e.g. quaternary ammonium salts (Aliquat 336, CTAC) or trioctylamine. Aliquat 336 also promotes hydrodechlorination in the hydrothermal system using a 10% solution of 2-propanol in water, Raney nickel and potassium carbonate as base at 150–200 °C and 10–20 bar. Under these conditions, hexachlorobenzene was also selectively dechlorinated to benzene.     

An open-source library for the numerical modeling of mass-transfer in solid oxide fuel cells

The generation of direct current electricity using solid oxide fuel cells (SOFCs) involves several interplaying transport phenomena. Their simulation is crucial for the design and optimization of reliable and competitive equipment, and for the eventual market deployment of this technology. An open-source library for the computational modeling of mass-transport phenomena in SOFCs is presented in this article. It includes several multicomponent mass-transport models (i.e. Fickian, Stefan–Maxwell and Dusty Gas Model), which can be applied both within porous media and in porosity-free domains, and several diffusivity models for gases. The library has been developed for its use with OpenFOAM^®, a widespread open-source code for fluid and continuum mechanics. The library can be used to model any fluid flow configuration involving multicomponent transport phenomena and it is validated in this paper against the analytical solution of one-dimensional test cases. In addition, it is applied for the simulation of a real SOFC and further validated using experimental data.Program summaryProgram title: multiSpeciesTransportModelsCatalogue identifier: AEKB_v1_0Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEKB_v1_0.htmlProgram obtainable from: CPC Program Library, Queen?s University, Belfast, N. IrelandLicensing provisions: GNU General Public LicenseNo. of lines in distributed program, including test data, etc.: 18 140No. of bytes in distributed program, including test data, etc.: 64 285Distribution format: tar.gzProgramming language:: C++Computer: Any x86 (the instructions reported in the paper consider only the 64 bit case for the sake of simplicity)Operating system: Generic Linux (the instructions reported in the paper consider only the open-source Ubuntu distribution for the sake of simplicity)Classification: 12External routines: OpenFOAM® (version 1.6-ext) (http://www.extend-project.de)Nature of problem: This software provides a library of models for the simulation of the steady state mass and momentum transport in a multi-species gas mixture, possibly in a porous medium. The software is particularly designed to be used as the mass-transport library for the modeling of solid oxide fuel cells (SOFC). When supplemented with other sub-models, such as thermal and charge-transport ones, it allows the prediction of the cell polarization curve and hence the cell performance.Solution method: Standard finite volume method (FVM) is used for solving all the conservation equations. The pressure-velocity coupling is solved using the SIMPLE algorithm (possibly adding a porous drag term if required). The mass transport can be calculated using different alternative models, namely Fick, Maxwell–Stefan or dusty gas model. The code adopts a segregated method to solve the resulting linear system of equations. The different regions of the SOFC, namely gas channels, electrodes and electrolyte, are solved independently, and coupled through boundary conditions.Restrictions: When extremely large species fluxes are considered, current implementation of the Neumann and Robin boundary conditions do not avoid negative values of molar and/or mass fractions, which finally end up with numerical instability. However this never happened in the documented runs. Eventually these boundary conditions could be reformulated to become more robust.Running time: From seconds to hours depending on the mesh size and number of species. For example, on a 64 bit machine with Intel Core Duo T8300 and 3 GBytes of RAM, the provided test run requires less than 1 second.     

Temperature wave‐trains of periodically forced networks of catalytic reactors

Networks of N identical catalytic reactors with periodically switched inlet and outlet sections are studied for first‐order irreversible exothermic reactions. Switching strategies with inlet and outlet sections periodically jumping a fixed number n_s of reactors are considered and the mechanisms governing the formation of traveling temperature wave‐trains are analyzed as n_s and N are varied. To this aim, a geometric approach to the analysis of the network energy balance is developed. Based on this approach, infinite domains of traveling temperature wave‐trains are predicted for any n_s and N. Analytical approximations are derived for the stability limits and the spatiotemporal patterns of these regimes. Stability boundaries predicted analytically include for any solution the largest part of the stability region computed by numerical simulation. Moreover, good agreement is found between the structure of the spatiotemporal patterns computed numerically and that predicted based on the proposed approach. © 2011 American Institute of Chemical Engineers AIChE J, 2012