Synthesis and characterization of nanocomposites of thermoplastic polyurethane with both graphene and graphene nanoribbon fillers

Thermoplastic polyurethane (TPU) nanocomposites containing graphene and graphene nanoribbons were obtained by polymerizing 1,4-butanediol with two diisocyanates (namely, 1,6-hexane diisocyanate or isophorone diisocyanate), in which the nanofillers were previously dispersed. Raman spectroscopy and Transmission Electron Microscopy demonstrated the formation of few-layer graphene and graphene nanoribbons dispersed in the monomers. At variance to the methods commonly reported in literature, that used in this work consists of the direct exfoliation of graphite without any chemical manipulation. Apart from the obvious cost and ease advantages, the so-obtained graphene does not contain any carboxy or alkoxy groups formed during the exfoliation process, which, at variance, are typically present in the most commonly reported methods. This finding paves the way toward the large-scale production of graphene and its nanoribbons, which are considered even more interesting than graphene itself for many potential applications. The obtained nanocomposites show a peculiar thermal and rheological behavior due to the presence of the nanofillers and to their reinforcing or plasticizing effect exerted on the TPU matrices.     

Microencapsulation of cashew apple (Anacardium occidentale,L.) juice using a new chitosan–commercial bovine whey protein isolate system in spray drying

The aim of this work was to obtain a new stable food product from cashew apple juice encapsulated by spray-drying technique using chitosan–whey protein isolate systems. The materials were evaluated according to their physicochemical stability during storage at different conditions and characterized with respect to their particle size distribution and structure. Encapsulated commercial and natural juices showed homogenous and unimodal particle size distribution with diameters ranging from 0.2 to 5.0 μm and from 0.2 to 40.0 μm, respectively. Both juices demonstrated higher physicochemical stability for vitamin C and color measurements than their respective non-encapsulated juices. X-ray diffractograms evidenced that the powder juices after the 140th day of storage were still in amorphous state. These results indicate that the new product was effective in protecting sensitive compounds present in the food matrix and it was also able to remain stable throughout the study period.     

Synthesis, biological activity, and ADME properties of novel S-DABOs/N-DABOs as HIV reverse transcriptase inhibitors

Previous studies aimed at exploring the SAR of C2-functionalized S-DABOs demonstrated that the substituent at this position plays a key role in the inhibition of both wild-type RT and drug-resistant enzymes, particularly the K103N mutant form. The introduction of a cyclopropyl group led us to the discovery of a potent inhibitor with picomolar activity against wild-type RT and nanomolar activity against many key mutant forms such as K103N. Despite its excellent antiviral profile, this compound suffers from a suboptimal ADME profile typical of many S-DABO analogues, but it could, however, represent a promising candidate as an anti-HIV microbicide. In the present work, a new series of S-DABO/N-DABO derivatives were synthesized to obtain additional SAR information on the C2-position and in particular to improve ADME properties while maintaining a good activity profile against HIV-1 RT. In vitro ADME properties (PAMPA permeation, water solubility, and metabolic stability) were also experimentally evaluated for the most interesting compounds to obtain a reliable indication of their plasma levels after oral administration.     

The Genetic Basis of Primary Myelofibrosis and Its Clinical Relevance

Among classical BCR-ABL-negative myeloproliferative neoplasms (MPN), primary myelofibrosis (PMF) is the most aggressive subtype from a clinical standpoint, posing a great challenge to clinicians. Whilst the biological consequences of the three MPN driver gene mutations (JAK2, CALR, and MPL) have been well described, recent data has shed light on the complex and dynamic structure of PMF, that involves competing disease subclones, sequentially acquired genomic events, mostly in genes that are recurrently mutated in several myeloid neoplasms and in clonal hematopoiesis, and biological interactions between clonal hematopoietic stem cells and abnormal bone marrow niches. These observations may contribute to explain the wide heterogeneity in patients’ clinical presentation and prognosis, and support the recent effort to include molecular information in prognostic scoring systems used for therapeutic decision-making, leading to promising clinical translation. In this review, we aim to address the topic of PMF molecular genetics, focusing on four questions: (1) what is the role of mutations on disease pathogenesis? (2) what is their impact on patients’ clinical phenotype? (3) how do we integrate gene mutations in the risk stratification process? (4) how do we take advantage of molecular genetics when it comes to treatment decisions?     

Implementation of the quadrature method of moments in CFD codes for aggregation-breakage problems

In this work the quadrature method of moments (QMOM) is implemented in a commercial computational fluid dynamics (CFD) code (FLUENT) for modeling simultaneous aggregation and breakage. Turbulent and Brownian aggregation kernels are considered in combination with different breakage kernels (power law and exponential) and various daughter distribution functions (symmetric, erosion, uniform). CFD predictions are compared with experimental data taken from other work in the literature and conclusions about CPU time required for the simulations and the advantages of this approach are drawn.     

Droplet breakage and coalescence in liquid–liquid dispersions: Comparison of different kernels with EQMOM and QMOM

Droplet coalescence and breakage in turbulent liquid–liquid dispersions is simulated by using computational fluid dynamics (CFD) and population balance modeling. The multifractal (MF) formalism that takes into account internal intermittency was here used for the first time to describe breakage and coalescence in a surfactant‐free dispersion. The log‐normal Extended Quadrature Method of Moments (EQMOM) was for the first time coupled with a CFD multiphase solver. To assess the accuracy of the model, predictions are compared with experiments and other models (i.e., Coulalogou and Tavlarides kernels and Quadrature Method of Moments [QMOM]). EQMOM and QMOM resulted in similar predictions, but EQMOM provides a continuous reconstruction of the droplet‐size distribution. Transient predictions obtained with the MF kernels result in a better agreement with the experiments. © 2016 American Institute of Chemical Engineers AIChE J, 63: 2293–2311, 2017     

Kinetics of Pressure Cycling Extraction of Solute from Leaves of Mate (Ilex paraguariensis) Dispersed in Water

A set of seven extraction experiments was performed to investigate the influence of pressure cycles on the kinetics of solute removal from leaves of mate dispersed in water. The mass ratio of liquid to dry solid (40), the temperature (32°C), and time of extraction (3600?s) were not varied. Five extraction runs were under cyclic pressurization (1?cycle?=?300?s at 91.4?kPa?+?300?s at 182.8?kPa) and stirring speeds (S) of 0, 150, 500, 1500, and 2000?rpm, while the two other ones were at constant pressure (182.8?kPa) and S close to 1500 and 2000?rpm. Based on seven pairs of parameters of a reliable second-order kinetic model (R²?≥?0.967), cyclic pressurization had no effect on equilibrium and kinetics of extraction (p?>?0.05) when the role of convection on solute transfer was negligible (S?≥?500?rpm). In the stirring speed range from 500 to 2000?rpm, the operation was controlled by diffusion (Bi >?1.7?×?10³), so a transient two-dimensional diffusion model was able to describe correctly the changes of solute concentration with time. Below 500?rpm, solute transfer was governed by a combination of diffusion and convection with the external resistance to mass transfer as a function of S (16?≤?Bi?≤?28).     

Simulation of polydisperse multiphase systems using population balances and example application to bubbly flows

In this work the relationship between multiphase computational fluid dynamics models and population balance models is illustrated by deriving the main governing equations from the generalized population balance equation. The resulting set of equations, consisting of the well known two-fluid model coupled with a bivariate population balance model, is then implemented in the CFD code OpenFOAM. The implementation is used to simulate a particular multiphase problem: bubbly flow in a rectangular column. Results show that, although the different mesoscale models for drag force, coalescence, breakup and mass transfer, can be improved, the agreement with experiments is nevertheless good. Moreover, although the problem investigated is quite complex, as the evolution of bubbles is solved in real-space, time and phase-space (i.e. bubble size and composition) the resulting computational costs are reasonable. This is due to the fact that the bivariate population balance model is solved here with the so-called conditional quadrature method of moments, that very efficiently deals with these problems. The overall approach is demonstrated to be efficient and robust and is therefore suitable for the simulation of many polydisperse multiphase flows.     

Assessment of gel formation in colloidal dispersions during mixing in turbulent jets

Onset of gel formation upon mixing between colloidal dispersions and coagulant solutions in turbulent jets was studied using a combination of computational fluid dynamics (CFD) and population balance equation (PBE). To describe the interaction between turbulence fluctuations and particle aggregation, a micromixing model based on presumed probability density function was implemented inside the CFD code. Furthermore, effect of the solid phase on the fluid flow was modeled through an effective viscosity of the mixture evaluated from PBE. The results are presented in the parameter space of the primary particle diameter and the solid volume fraction where strong interplay between mixing and aggregation mechanisms controls the gelation phenomena and consequently also the fluid dynamics. Simulation results are in good agreement with observations from gelation experiments of concentrated nanoparticle suspensions injected into coagulant solutions. © 2013 American Institute of Chemical Engineers AIChE J, 59: 4567–4581, 2013     

Potential Mechanisms Linking Atherosclerosis and Increased Cardiovascular Risk in COPD: Focus On Sirtuins

The development of atherosclerosis is a multi-step process, at least in part controlled by the vascular endothelium function. Observations in humans and experimental models of atherosclerosis have identified monocyte recruitment as an early event in atherogenesis. Chronic inflammation is associated with ageing and its related diseases (e.g., atherosclerosis and chronic obstructive pulmonary disease). Recently it has been discovered that Sirtuins (NAD⁺-dependent deacetylases) represent a pivotal regulator of longevity and health. They appear to have a prominent role in vascular biology and regulate aspects of age-dependent atherosclerosis. Many studies demonstrate that SIRT1 exhibits anti-inflammatory properties in vitro (e.g., fatty acid-induced inflammation), in vivo (e.g., atherosclerosis, sustainment of normal immune function in knock-out mice) and in clinical studies (e.g., patients with chronic obstructive pulmonary disease). Because of a significant reduction of SIRT1 in rodent lungs exposed to cigarette smoke and in lungs of patients with chronic obstructive pulmonary disease (COPD), activation of SIRT1 may be a potential target for chronic obstructive pulmonary disease therapy. We review the inflammatory mechanisms involved in COPD-CVD coexistence and the potential role of SIRT1 in the regulation of these systems.