Graph-based approach for the approximate solution of the chemical master equation

The chemical master equation (CME) represents the accepted stochastic description of chemical reaction kinetics in mesoscopic systems. As its exact solution – which gives the corresponding probability density function – is possible only in very simple cases, there is a clear need for approximation techniques. Here, we propose a novel perturbative three-step approach which draws heavily on graph theory: (i) we expand the eigenvalues of the transition state matrix in the CME as a series in a non-dimensional parameter that depends on the reaction rates and the reaction volume; (ii) we derive an analogous series for the corresponding eigenvectors via a graph-based algorithm; (iii) we combine the resulting expansions into an approximate solution to the CME. We illustrate our approach by applying it to a reversible dimerization reaction; then, we formulate a set of conditions, which ensure its applicability to more general reaction networks. We follow attempting to apply the results to a more complicated system, namely push-pull, but the problem reveals too complex for a complete solution. Finally, we discuss the limitations of the methodology

Laboratory Experiments on Long Waves Interacting with Rigid Vertical Cylinders

The impact of waves caused by storm surges or floods could lead to significant damage to marine and fluvial structures. Hydraulic forces add significant hydrodynamic loads on bridges built in coastal and fluvial environments; therefore, the effect of the wave impact on bridge substructures must be properly considered for the safe and cost-effective design of the piers. The use of laboratory-scale models is a direct approach to investigate the effects of long waves on simple structures, mimicking bridge piers. The present study describes a laboratory-scale model, where the propagation of two different long waves in a flume, in the presence of two rigid cylinders, was investigated. The velocity measurements were acquired by the Particle Image Velocimetry (PIV) technique, providing instantaneous flow velocity vectors on 2D planes. For each experimental condition, the instantaneous velocity field close to the cylinders was analysed, in order i) to depict how it changes during the wave transit, and thus how the drag force acting on the cylinders could change, ii) to detect the spatial distributions of vorticity downstream. Some first interesting results have been obtained, showing a quite uniform distribution of the longitudinal velocity along the depth of the vertical plane upstream of the cylinders, with increasing values during the wave transit. No interactions in the central part of the flow downstream of the two cylinders was observed in the horizontal plane which are spaced approximately ten times their diameter. Finally, the vorticity has also been studied, displaying a phase-varying behaviour, which appears to lose symmetry during wave transit

A Recyclable Polypropylene Multilayer Film Maintaining the Quality and the Aroma of Coffee Pods during Their Shelf Life

Films for coffee-pod packaging usually contain aluminium as an impermeable foil that is not recyclable and has to be discharged as waste. In this study, a recyclable polypropylene multilayer film is proposed as an alternative. The performance on the chemical composition of coffee was evaluated and compared to that of film containing aluminium (standard). The oxygen in the headspace, moisture, lipidic oxidation, and volatile organic compounds were studied in coffee pods during storage for 12 months at 25 and 40 °C. In addition, the acidity and acceptability of extracted coffee were evaluated. In the polypropylene-packaged pods, the percentage of oxygen during storage at 25 °C was lower than that in the standard. Moisture was not affected by the type of packaging materials. No differences were found between the peroxide values, except in pods stored for 3, 10, and 11 months at 25 °C, where they were even lower than the standard. Furans and pyrazines were the main volatile organic compounds detected. No differences were found in the pH and titratable acidity of the coffee brew either. All samples were well accepted by consumers without any perceived difference related to the packaging film. The polypropylene multilayer film is a sustainable recyclable material with high performance, in particular, against oxygen permeation

The Use of Carbon Dioxide as a Green Approach to Recover Bioactive Compounds from Spent Coffee Grounds

Spent coffee grounds (SCG) contain bioactive compounds. In this work, given the increasing demand to valorize waste and use green technologies, SCG were submitted to extraction by carbon dioxide (CO2) in supercritical and liquid conditions. The extraction parameters were varied to obtain the maximum yield with the maximum antioxidant activity. The use of supercritical and liquid CO2 with 5% ethanol for 1 h provided yields (15 and 16%, respectively) comparable to those obtained by control methods for 5 h and extracts with high total polyphenolic contents (970 and 857 mg GAE/100 g oil, respectively). It also provided extracts with DPPH (3089 and 3136 μmol TE/100 g oil, respectively) and FRAP (4383 and 4324 μmol TE/100 g oil, respectively) antioxidant activity levels higher than those of hexane extracts (372 and 2758 μmol TE/100 g oil, respectively) and comparable to those of ethanol (3492 and 4408 μmol TE/100 g oil, respectively). The SCG extracts exhibited linoleic, palmitic, oleic, and stearic acids (predominant fatty acids) and furans and phenols (predominant volatile organic compounds). They were also characterized by caffeine and individual phenolic acids (chlorogenic, caffeic, ferulic, and 3,4-dihydroxybenzoic acids) with well-known antioxidant and antimicrobial properties; therefore, they could be used in the cosmetic, pharmaceutical, and food sectors

Transport and emergent stratification in the equilibrated Eady model: the vortex gas scaling regime

We numerically and theoretically investigate the Boussinesq Eady model, where a rapidly rotating density-stratified layer of fluid is subject to a meridional temperature gradient in thermal wind balance with a uniform vertically sheared zonal flow. Through a suite of numerical simulations, we show that the transport properties of the resulting turbulent flow are governed by quasi-geostrophic (QG) dynamics in the rapidly rotating strongly stratified regime. The 'vortex gas' scaling predictions put forward in the context of the two-layer QG model carry over to this fully 3D system: the functional dependence of the meridional flux on the control parameters is the same, the two ajustable parameters entering the theory taking slightly different values. In line with the QG prediction, the meridional buoyancy flux is depth-independent. The vertical buoyancy flux is such that turbulence transports buoyancy along isopycnals, except in narrow layers near the the top and bottom boundaries, the thickness of which decreases as the diffusivities go to zero. The emergent (re)stratification is set by a simple balance between the vertical buoyancy flux and diffusion along the vertical direction. Overall, this study demonstrates how the vortex-gas scaling theory can be adapted to quantitatively predict the magnitude and vertical structure of the meridional and vertical buoyancy fluxes, and of the emergent stratification, without additional fitting parameters.Comment: Accepted versio

Green technologies for extracting plant waste functional ingredients and new food formulation: A review

: Nowadays, there is a growing interest in food waste recovery by both consumers and companies. Food waste of plant origin is a source of bioactive compounds, such as phenolic acids, anthocyanins, flavonoids, phytosterols, carotenoids, and tocopherols, with well-known antioxidant, anti-glycemic, and antimicrobial properties. The use of green and sustainable technologies to recover bioactive compounds from food waste is a possible solution to valorize waste following the principles of green chemistry. Furthermore, today's consumers are more attracted, informed, and aware of the benefits associated with the consumption of functional foods, and with this in mind, the use of extracts rich in beneficial compounds obtained by green technologies from food waste can be a valid alternative to prepare functional foods. In this review, the recovery of polyphenols and fibers with green technologies from food waste for the formulation of functional foods was presented

Reducing the acrylamide concentration in homemade bread processed with L-asparaginase

Acrylamide is the main contaminant for starchy foods cooked at temperatures above 120 ◦C. It represents a potential carcinogen, and consequently, its reduction is important for safeguarding global health. The L-asparaginase enzyme catalyses the hydrolytic cleavage of L-asparagine, a precursor of acrylamide, into L-aspartic acid and ammonia, thus reducing the formation of acrylamide. The objective of this work was to test the enzyme Lasparaginase at two concentrations (150 and 300 U/kg flour) under normal baking conditions to reduce acrylamide. The results showed that the use of 300 U/g of the enzyme led to a reduction of 78% in acrylamide, meeting the reference level reported by Reg. (EU) 2017/2158 (50 μg/kg) without influencing parameters such as colour that impact the final characteristics of the product