Detailed kinetic modeling of the combustion of the four butanol isomers in premixed low-pressure flames

With regard to the importance of butanol as a potential replacement or additive to fossil transportation fuels, a detailed understanding of butanol combustion chemistry is desirable. Routes to different isomers of butanol from biomass are becoming available, and it is known that the structure of fuel molecules can be of crucial importance with respect to the intermediate species pool and the nature and amount of potential pollutants, including regulated air toxics. Quantitative major and intermediate species profiles for the combustion of the four butanol isomers under low-pressure premixed flame conditions, measured with two different in situ mass spectrometric instruments have recently been reported (P. Oßwald et al., Combust. Flame 158 (2011) 2–15), and this large consistent dataset has motivated us to further develop a detailed and comprehensive chemical kinetic model which was used here to complement the experimental results with numerical simulations, including reaction flow analyses. The major differences in the overall chemical pathways in these flames will be discussed, especially with respect to the formation of undesired emissions, and from agreement and differences between experiment and model, suggestions for further work will be given.     

Odour monitoring of small wastewater treatment plant located in sensitive environment

Small wastewater treatment plants are often localized nearby tourist areas. Odour emissions are a major environmental issue in these plants and are considered to be the main cause of disturbance noticed by the exposed population. Odour measurement is carried out using analytical or sensorial methods. Sensorial analysis, being assigned to the "human sensor", is the cause of a considerable uncertainty.In this study, a novel procedure based on highly innovative analytical tool was used to identify and characterise the odour sources and the volatile substances that cause annoyance in a SWWTP located in a sensitive area, with the aim to remove the subjective component in the measure of the odours and define the induced impact. At the same time key odour compounds are detected, and the relationship between their concentration and the performances of the plant are investigated.The sources and the main chemical substances responsible for the olfactory annoyances were identified. Results highlight the applicability of the highly innovative tool in odour emission monitoring. Around 39 different substances were detected, with almost half being smell relevant components as well as responsible. Dimethyl disulphide was identified as key compound connected to the efficiency of the process.     

Surface decorated platinum carbonyl clusters

Four molecular Pt-carbonyl clusters decorated by Cd-Br fragments, i.e., [Pt(13)(CO)(12){Cd(5)(μ-Br)(5)Br(2)(dmf)(3)}(2)](2-) (1), [Pt(19)(CO)(17){Cd(5)(μ-Br)(5)Br(3)(Me(2)CO)(2)}{Cd(5)(μ-Br)(5)Br(Me(2)CO)(4)}](2-) (2), [H(2)Pt(26)(CO)(20)(CdBr)(12)](8-) (3) and [H(4)Pt(26)(CO)(20)(CdBr)(12)(PtBr)(x)](6-) (4) (x = 0-2), have been obtained from the reactions between [Pt(3n)(CO)(6n)](2-) (n = 2-6) and CdBr(2)·H(2)O in dmf at 120 °C. The structures of these molecular clusters with diameters of 1.5-2 nm have been determined by X-ray crystallography. Both 1 and 2 are composed of icosahedral or bis-icosahedral Pt-CO cores decorated on the surface by Cd-Br motifs, whereas 3 and 4 display a cubic close packed Pt(26)Cd(12) metal frame decorated by CO and Br ligands. An oversimplified and unifying approach to interpret the electron count of these surface decorated platinum carbonyl clusters is suggested, and extended to other low-valent organometallic clusters and Au-thiolate nanoclusters.     

Electrodeposition of Zn–SiC nanocomposite coatings

Zn–SiC composite coatings were obtained on mild steel substrate by electrodeposition technique with high-current efficiency. A slightly acidic chloride bath, containing SiC nanoparticles and gelatine as additive, was used. The electrodeposition was carried out under galvanostatic control with pulsed direct current; the effect of experimental parameters (temperature, average current density and particles concentration) on composition, morphology and structure of the deposit was studied. Coatings were characterized by means of scanning electron microscopy, energy dispersive X-ray analysis, X-ray diffractometry and Vickers microhardness measurements. Zn–SiC electrodeposits with the best characteristics were obtained by performing electrodepositions at 45 °C, with 20 g L^?1 SiC in the bath and with average current density in the range 100–150 mA cm^?2. Under these experimental conditions, homogeneous and compact coatings, with low-grain size and SiC content ranging from 1.7 to 2.1 wt%, were found to be electrodeposited. Microhardness measurements showed for these deposits an increase of about 50 % with respect to those without nanoparticles obtained in the same experimental conditions.     

Kinetic and fluid dynamics modeling of methane/hydrogen jet flames in diluted coflow

MILD combustion is a recent development in the combustion of hydrocarbon fuels which promises high efficiencies and low NO_x emissions. In this paper we analyze the mathematical and numerical modeling of a Jet in Hot Coflow (JHC) burner, which is designed to emulate a moderate and intense low oxygen dilution (MILD) combustion regime [1]. This paper initially discusses the effects of several modeling strategies on the prediction of the JHC flame structure using the CFD code FLUENT 6.3.26. Effects of various turbulence models and their boundary conditions have been studied. Moreover, the detailed kinetic mechanism adopted in the CFD simulations is successfully validated in the conditions of interest using recent literature data [2] on the effect of nitrogen dilution on the flame speeds of several CH₄/H₂/air lean mixtures. One of the aims of this paper is also to describe a methodology for computing pollutant formation in steady turbulent flows to verify its applicability to the MILD combustion regime. CFD results are post-processed for calculating the NO_x using a numerical tool called Kinetic Post Processor (KPP). The modeling results agree with the experimental results [1] and support the proposed approach as a useful tool for optimizing the design of new burners also in the MILD combustion regime.     

How Can Malnutrition Affect Autophagy in Chronic Heart Failure? Focus and Perspectives

Chronic heart failure (CHF) is a disease with important clinical and socio-economic ramifications. Malnutrition and severe alteration of the protein components of the body (protein disarrangements), common conditions in CHF patients, are independent correlates of heart dysfunction, disease progression, and mortality. Autophagy, a prominent occurrence in the heart of patients with advanced CHF, is a self-digestive process that prolongs myocardial cell lifespan by the removal of cytosolic components, such as aging organelles and proteins, and recycles the constituent elements for new protein synthesis. However, in specific conditions, excessive activation of autophagy can lead to the destruction of molecules and organelles essential to cell survival, ultimately leading to organ failure and patient death. In this review, we aim to describe the experimental and clinical evidence supporting a pathophysiological role of nutrition and autophagy in the progression of CHF. The understanding of the mechanisms underlying the interplay between nutrition and autophagy may have important clinical implications by providing molecular targets for innovative therapeutic strategies in CHF patients.     

Multitarget Compounds for Bipolar Disorder: From Rational Design to Preliminary Pharmacokinetic Evaluation

Due to the complex and multifactorial nature of bipolar disorder (BD), single-target drugs have traditionally provided limited relief with no disease-modifying effects. In line with the polypharmacology paradigm, we attempted to overcome these limitations by devising two series of multitarget-directed ligands endowed with both a partial agonist profile at dopamine receptor D3 (D3R) and inhibitory activity against glycogen synthase kinase 3 beta (GSK-3β). These are two structurally unrelated targets that play independent, yet connected, roles in cognition and mood regulation. Two compounds ( 7 and 10 ) emerged as promising D3R/GSK-3β multitarget-directed ligands with nanomolar activity at D3R and low-micromolar inhibition of GSK-3β, thereby confirming, albeit preliminarily, the feasibility of our strategy. Furthermore, 7 showed promising drug-like properties in stability and pharmacokinetic studies.     

Near-recursive optical flow from weighted image differences.

This correspondence derives a formal link between temporally weighted frame differences, or disturbance fields, which carry limited information suitable for motion detection, and the optic flow (OF), which carries richer information on local image motion. We use this link to derive a novel, simple, near-recursive optic flow algorithm based on a recursive-filter formulation. Most quantities involved are computed recursively, using only data from the current and previous frame. We can limit expensive OF calculations to pixels where motion magnitude is sufficiently high using image differences which the algorithm computes anyway. Experimental results with well-known synthetic, ground-truthed test sequences and standard performance metrics indicate good quantitative performance. Tests with real sequences suggest similar or better performance than a well-known, similar algorithm due to Lucas and Kanade (LK).     

Parallel Patterns for Window-Based Stateful Operators on Data Streams: An Algorithmic Skeleton Approach

The topic of Data Stream Processing is a recent and highly active research area dealing with the in-memory, tuple-by-tuple analysis of streaming data. Continuous queries typically consume huge volumes of data received at a great velocity. Solutions that persistently store all the input tuples and then perform off-line computation are impractical. Rather, queries must be executed continuously as data cross the streams. The goal of this paper is to present parallel patterns for window-based stateful operators, which are the most representative class of stateful data stream operators. Parallel patterns are presented “à la” Algorithmic Skeleton, by explaining the rationale of each pattern, the preconditions to safely apply it, and the outcome in terms of throughput, latency and memory consumption. The patterns have been implemented in the \(\mathtt {FastFlow}\) framework targeting off-the-shelf multicores. To the best of our knowledge this is the first time that a similar effort to merge the Data Stream Processing domain and the field of Structured Parallelism has been made.