Computer Simulations Then and Now: an Introduction and Historical Reassessment

NTM Zeitschrift für Geschichte der Wissenschaften, Technik und Medizin -     

Indoor air quality and the associated health risk in primary school buildings in Central Europe – The InAirQ study

The indoor air quality (IAQ) was investigated in sixty-four primary school buildings in five Central European countries (Czech Republic, Hungary, Italy, Poland, and Slovenia). The concentration of volatile organic compounds, aldehydes, PM_2.5 mass, carbon dioxide, radon, as well as physical parameters were investigated during the heating period of 2017/2018. Significant differences were identified for the majority of the investigated IAQ parameters across the countries. The median indoor/outdoor ratios varied considerably. A comprehensive evaluation of IAQ in terms of potential health effects and comfort perception was performed. Hazard quotient values were below the threshold value of 1 with one exception. In contrast, 31% of the school buildings were characterized by hazard index values higher than 1. The maximum cumulative ratio approach highlighted that the concern for non-carcinogenic health effects was either low or the health risk was driven by more substances. The median excess lifetime cancer risk values exceeded the acceptable value of 1 × 10⁻⁶ in the case of radon and formaldehyde. PM_2.5 mass concentration values exceeded the 24 h and annual guideline values set by the World Health Organization in 56 and 85% of the cases, respectively. About 80% of the schools could not manage to comply with the recommended concentration value for carbon dioxide (1000 ppm).     

Gas chromatographic study on high-temperature thermal degradation products of methyl linoleate hydroperoxides

Chromatographic techniques were used to separate secondary products generated by thermal degradation of methyl linoleate hydroperoxides (MLHP). The MLHP were obtained by oxidation, selected, and concentrated by solid-phase extraction (SPE) and thin-layer chromatography (TLC). The purified MLHP were then thermo-degraded in the gas-chromatographic glass liner and analyzed on-line by gas chromatography-mass spectrometry (GC-MS). The MLHP were also thermodegraded and collected in a short silicic acid-packed column, eluted, separated by TLC, and then analyzed by GC. By considering the elution in TLC, the GC retention times and the GC-MS analyses, it was possible to characterize the mono- and the dioxygenated secondary products, particularly those having a boiling point higher than methyl linoleate. The peaks that corresponded to the mono-oxygenated products (epoxy, hydroxy, and keto) were identified, and, on the basis of their MS spectra, molecular structures were proposed. A specific elution order was suggested for keto derivatives: 9-keto,Δ^10,12- and 13-keto,Δ^9,11-octadecadienoate. The hydroxy derivatives, which show the typical fragmentations of 9-hydroxy,Δ^10,12- and 13-hydroxy,Δ^9,11-octadecadienoate, were also identified. On the other hand, identification of the di-oxygenated compounds was more difficult, and, therefore, it was not possible to indicate each positional isomer; however, their elution order could be epoxy-hydroxy and epoxy-keto derivatives.     

Nanotube transistors as direct probes of the trap dynamics at dielectric-organic interfaces of interest in organic electronics and solar cells

The high sensitivity of nanotube transistors is used for the first time as a probe to study charge dynamics at a dielectric/polymer (polythiophene) interface, an inorganic/organic junction of particular importance for organic solar cells, and organic field effect transistors (OFETs). A carbon nanotube field effect transistor is coated with a thin film of a photoconductive polymer and photoexcited so as to generate carriers in the structure. Comparison between devices using SiO2 and TiO2 as gate dielectric reveals the critical role of the dielectric and clearly elucidates the relative contributions of the polymer and the dielectric layers on the separation, trapping, and relaxation of photogenerated charges.     

A filtration-based real-time PCR method for the quantitative detection of viable Salmonella enterica and Listeria monocytogenes in food samples

We developed a novel filtration-based method that can eliminate dead or severally damaged Salmonella enterica and Listeria monocytogenes in food samples. This new method can recover all viable bacteria in less than 30 min, and can be coupled with a subsequent bacterial DNA extraction and real-time PCR. No statically significant differences (p < 0.01) were found between real-time PCR results obtained separately from S. enterica and L. monocytogenes when different ratios of living and dead cells were used. The analytical sensitivity in both cases was 1 genome equivalent (GE), and the quantification was linear (R² > 0.9969) over a 5-log dynamic range with PCR efficiencies >0.9754. When compared with the standard microbiological methods for the detection of these foodborne pathogens, the relative accuracy was excellent ranging from 95.72% to 104.48%. Finally, we applied the pre-treatment method to the direct detection of viable forms of these foodborne pathogens in food samples using yogurt as a model, the results being similar to those obtained using pure cultures.     

A life cycle approach to Green Public Procurement of building materials and elements: A case study on windows

Green Public Procurement (GPP) is a significant policy tool for reducing the environmental impacts of services and products throughout their whole life cycle. Scientific and easily verifiable environmental criteria, based on a life cycle approach, should be developed and used within procurement procedures. In this paper, Life Cycle Assessment (LCA) is applied to wood windows showing how it can support the criteria definition. After a foreword on GPP development in Italy, the evaluation features of the environmental performances of building materials and components are outlined. The LCA case study is then presented, describing the use of the analysis results to define the environmental criteria. LCA allowed to identify the main impacts and the critical processes of the window life cycle, giving a scientific framework to discuss GPP criteria with manufacturers associations and stakeholders. Nevertheless, it couldn’t help neither in identifying detailed criteria for GPP nor to define numerical thresholds to be used as reference in procurement procedures. The appropriate strategies should be selected taking into account the technical status of the market, the standard development and the voluntary industry commitments, involving manufacturers associations. Finally, some elements to develop a structured approach for GPP of construction materials are presented.     

Retrogradation—Digestibility Relationship of Selected Glutinous and Non-Glutinous Fresh and Stale Cooked Rice

This study examined the retrogradation and digestibility relationship of fresh and stale cooked rice of three rice varieties: glutinous (TDK11) and non-glutinous (Doongara and floating rice). The effect of rice variety, degree of milling and retrogradation (staling) of cooked rice on the estimated glycaemic index was determined. Although high-glycaemic index values were obtained for fresh cooked rice of all varieties, staling rice at 4^oC for 24 h showed positive effect on floating rice only, yielding intermediate-glycaemic index. The effect of staling on retrogradation rates was corroborated by changes in x-ray diffraction peaks. The thermal and textural properties of rice samples showed higher pasting temperature, final viscosity, and hardness, and lower peak viscosity and adhesiveness for fresh cooked non-glutinous varieties, which were also significantly affected by degree of milling, in terms of hardness, after retrogradation.     

Toxic metals (Hg, Cd, and Pb) in fishery products imported into Italy: suitability for human consumption

Mercury, cadmium, and lead concentrations were determined in various fishery products (fishes, cephalopod molluscs, and crustaceans) imported into Italy from many European and non-European coastal countries. Considerable differences were found in the concentrations of these metals among the products tested. The highest mean Hg concentration was found in fishes (0.21 μg g(-1) wet weight), whereas cephalopods had the highest mean Cd concentration (0.35 μg g(-1) wet weight). Swordfish (0.80 μg g(-1) wet weight), longtail tuna (0.53 μg g(-1) wet weight), and thornback ray (0.52 μg g(-1) wet weight) had the highest concentrations of Hg, whereas maximum Cd concentrations were found in samples of common cuttlefish (0.85 μg g(-1) wet weight) and common octopus (0.64 μg g(-1) wet weight). The majority of the samples analyzed were in compliance with European Union legislation, except for a few cases. The calculated mean weekly intakes of Hg, Cd, and Pb through consumption of the fishery products tested were all below the legislated respective provisional tolerable weekly intakes. In general, the samples analyzed were considered safe to eat with regard to the metal concentrations found and the allowable intakes based on legislation. Nevertheless, the consumption of some species may be of significant importance for consumer health.     

Antibacterial agents and cystic fibrosis: synthesis and antimicrobial evaluation of a series of N-thiomethylazetidinones

The increasing emergence of multidrug-resistant microorganisms is one of the greatest challenges in the clinical management of infectious disease. New antimicrobial agents are therefore urgently required, particularly in the treatment of chronic and recurrent infections often associated with antibiotic-resistant pathogens, as in the case of cystic fibrosis (CF) patients. This study reports the antibacterial activity of a series of monocyclic β-lactams with an alkylidenecarboxyl chain or electron-withdrawing groups such as 4-OAc, 4-SAc, and 4-SO(2)Ph at the C4 position of the ring. N-Unsubstituted and N-thiomethyl derivatives were compared. A total of 33 azetidinones were tested for their activity against Gram-positive and Gram-negative bacterial clinical isolates. The combination of an N-thiomethyl group and a benzyl ester on the 4-alkylidene side chain were found to increase the potency against Gram-positive bacteria. The N-thiomethyl group clearly elevated the activity of 4-acetoxyazetidinones relative to the corresponding NH derivatives. The most active compounds showed minimum inhibitory concentration (MIC) values of 4 and 8 mg L(-1) against methicillin-resistant Staphylococcus aureus isolated from pediatric patients with CF.