Penalty and relaxation methods for the optimal placement and operation of control valves in water supply networks

In this paper, we investigate the application of penalty and relaxation methods to the problem of optimal placement and operation of control valves in water supply networks, where the minimization of average zone pressure is the objective. The optimization framework considers both the location and settings of control valves as decision variables. Hydraulic conservation laws are enforced as nonlinear constraints and binary variables are used to model the placement of control valves, resulting in a mixed-integer nonlinear program. We review and discuss theoretical and algorithmic properties of two solution approaches. These include penalty and relaxation methods that solve a sequence of nonlinear programs whose stationary points converge to a stationary point of the original mixed-integer program. We implement and evaluate the algorithms using a benchmarking water supply network. In addition, the performance of different update strategies for the penalty and relaxation parameters are investigated under multiple initial conditions. Practical recommendations on the numerical implementation are provided.     

Extract from the Marine Seaweed Padina pavonica Protects Mitochondrial Biomembranes from Damage by Amyloidogenic Peptides

The identification of compounds which protect the double-membrane of mitochondrial organelles from disruption by toxic confomers of amyloid proteins may offer a therapeutic strategy to combat human neurodegenerative diseases. Here, we exploited an extract from the marine brown seaweed Padina pavonica (PPE) as a vital source of natural bioactive compounds to protect mitochondrial membranes against insult by oligomeric aggregates of the amyloidogenic proteins amyloid-β (Aβ), α-synuclein (α-syn) and tau, which are currently considered to be major targets for drug discovery in Alzheimer’s disease (AD) and Parkinson’s disease (PD). We show that PPE manifested a significant inhibitory effect against swelling of isolated mitochondria exposed to the amyloid oligomers, and attenuated the release of cytochrome c from the mitochondria. Using cardiolipin-enriched synthetic lipid membranes, we also show that dye leakage from fluorophore-loaded vesicles and formation of channel-like pores in planar bilayer membranes are largely prevented by incubating the oligomeric aggregates with PPE. Lastly, we demonstrate that PPE curtails the ability of Aβ42 and α-syn monomers to self-assemble into larger β-aggregate structures, as well as potently disrupts their respective amyloid fibrils. In conclusion, the mito-protective and anti-aggregator biological activities of Padina pavonica extract may be of therapeutic value in neurodegenerative proteinopathies, such as AD and PD.     

Improved laser-induced forward transfer of organic semiconductor thin films by reducing the environmental pressure and controlling the substrate–substrate gap width

Laser-induced forward transfer (LIFT) has been investigated for bilayer transfer material systems: silver/organic film (Alq₃ or PFO). The LIFT process uses an intermediate dynamic release layer of a triazene polymer. This study focuses on the effect of introducing a controlled donor–receiver substrate gap distance and the effect of doing the transfer at reduced air pressures, whilst varying the fluence up to ∼200 mJ/cm². The gap between ‘in-contact’ substrates has been measured to be a minimum of 2–3 μm. A linear variation in the gap width from ‘in contact’ to 40 μm has been achieved by adding a spacer at one side of the substrate–substrate sandwich. At atmospheric pressure, very little transfer is achieved for Alq₃, although PFO shows some signs of successful doughnut transfer (with a large hole in the middle) in a narrow fluence range, at gaps greater than 20 μm. For the transfer of Ag/PFO bilayers at atmospheric pressure, the addition of a PFO layer onto the receiver substrate improved the transfer enormously at smaller gaps and higher fluences. However, the best transfer results were obtained at reduced pressures where a 100% transfer success rate is obtained within a certain fluence window. The quality of the pixel morphology at less than 100 mbar is much higher than at atmospheric pressure, particularly when the gap width is less than 20 μm. These results show the promise of LIFT for industrial deposition processes where a gap between the substrates will improve the throughput.     

Standardization of GC pyrograms for interlab utilization

A rapid method is presented for the normalization of PGC trace retention times against a polyethylene pyrolysis spectrum obtained at the start of the analysis day.Variations in normalized retention times due to minor fluctuations in the rated values of analytical conditions have been studied. Relative standard deviation for normalized values obtained from tests on two columns under different experimental conditions over a period of a month was less than 1%.     

LC/ESI‐MS/MS characterisation of lipopeptide biosurfactants produced by the Bacillus licheniformis V9T14 strain

Lipopeptide biosurfactants produced by the Bacillus licheniformis V9T14 strain showed an interesting anti‐adhesion activity against biofilm formation of human pathogenic bacterial strains. The chemical characterisation of the crude extract of V9T14 strain was first developed through electrospray ionisation mass spectrometry (ESI‐MS) and ESI‐MS/MS direct infusions: two sets of molecular ion species belonging to the fengycin and surfactin families were revealed and their structures defined, interpreting their product ion spectra. The LC/ESI‐MS analysis of the crude extract allowed to separate in different chromatogram ranges the homologues and the isoforms of the two lipopeptide families. The extract was then fractionated by silica gel chromatography in two main fractions, I and II. The purified biosurfactants were analysed through a new, rapid and suitable LC/ESI‐MS/MS method, which allowed characterising the composition and the structures of the produced lipopeptides. LC/ESI‐MS/MS analysis of fraction I showed the presence of C₁₃, C₁₄ and C₁₅ surfactin homologues, whose structures were confirmed by the product ion spectra of the sodiated molecules [M + Na]⁺ at m/z 1030, 1044 and 1058. LC/ESI‐MS/MS analysis of fraction II confirmed the presence of two main fengycin isoforms, with the protonated molecules [M + H]⁺ at m/z 1478 and 1506 corresponding to C₁₇ fengycin A and C₁₇ fengycin B, respectively. Other homologues (C₁₄ to C₁₆) were revealed and confirmed as belonging to fengycin A or B according to the retention times and the product ions generated, although with the same nominal mass. Finally, a relative percentage content of each homologue for both lipopeptides families in the whole extract was proposed. Copyright © 2010 John Wiley & Sons, Ltd.     

Essential Oil of Cannabis sativa L: Comparison of Yield and Chemical Composition of 11 Hemp Genotypes

Cannabis sativa L. is an annual species cultivated since antiquity for different purposes. While, in the past, hemp inflorescences were considered crop residues, at present, they are regarded as valuable raw materials with different applications, among which extraction of the essential oil (EO) has gained increasing interest in many fields. The aim of the present study is the evaluation of the yield and the chemical composition of the EO obtained by hydrodistillation from eleven hemp genotypes, cultivated in the same location for two consecutive growing seasons. The composition of the EOs was analyzed by GC–MS, and then subjected to multivariate statistical analysis. Sesquiterpenes represented the main class of compounds in all the EOs, both in their hydrocarbon and oxygenated forms, with relative abundances ranging from 47.1 to 78.5%; the only exception was the Felina 32 sample collected in 2019, in which cannabinoids predominated. Cannabinoids were the second most abundant class of compounds, of which cannabidiol was the main one, with relative abundances between 11.8 and 51.5%. The statistical distribution of the samples, performed on the complete chemical composition of the EOs, evidenced a partition based on the year of cultivation, rather than on the genotype, with the exception of Uso-31. Regarding the extraction yield, a significant variation was evidenced among both the genotypes and the years of cultivation.     

Dual asymmetric-flow microdialysis for in vivo monitoring of brain neurochemicals

Microdialysis is an extensively used technique for both in vivo and in vitro experiments, applicable to animal and human studies. In neurosciences, the in vivo microdialysis is usually performed to follow changes in the extracellular levels of substances and to monitor neurotransmitters release in the brain of freely moving animals. Catecholamines, such as dopamine and their related compounds, are involved in the neurochemistry and in the physiology of mental diseases and neurological disorders. It is generally supposed that the brain's energy requirement is supplied by glucose oxidation. More recently, lactate was proposed to be the metabolic substrate used by neurons during synaptic activity. In our study, an innovative microdialysis approach for simultaneous monitoring of catecholamines, indolamines, glutamate and energy substrates in the striatum of freely moving rats, using an asymmetric perfusion flow rate on microdialysis probe, is described. As a result of this asymmetric perfusion, two samples are available from the same brain region, having the same analytes composition but different concentrations. The asymmetric flow perfusion could be a useful tool in neurosciences studies related to brain's energy requirement, such as toxin-induced models of Parkinson's disease.     

Rational design and molecular diversity for the construction of anti-alpha-bungarotoxin antidotes with high affinity and in vivo efficiency

The structure of peptide p6.7, a mimotope of the nicotinic receptor ligand site that binds alpha-bungarotoxin and neutralizes its toxicity, was compared to that of the acetylcholine binding protein. The central loop of p6.7, when complexed with alpha-bungarotoxin, fits the structure of the acetylcholine binding protein (AChBP) ligand site, whereas peptide terminal residues seem to be less involved in toxin binding. The minimal binding sequence of p6.7 was confirmed experimentally by synthesis of progressively deleted peptides. Affinity maturation was then achieved by random addition of residues flanking the minimal binding sequence and by selection of new alpha-bungarotoxin binding peptides on the basis of their dissociation kinetic rate. The tetra-branched forms of the resulting high-affinity peptides were effective as antidotes in vivo at a significantly lower dose than the tetra-branched lead peptide.