Screening method for ecotoxicological hazard assessment of 42 pharmaceuticals considering human metabolism and excretory routes

We assessed the ecotoxicological hazard potential of 42 pharmaceuticals from 22 therapeutic groups, including metabolites formed in humans. We treated each parent drug and its metabolites as a mixture of similarly acting compounds. If physicochemical or effect literature data were missing, we estimated these with quantitative structure-activity relationships (QSAR). Additionally, we estimated micropollutant removal efficiency of urine source separation using pharmaceutical information. On average, 50% of a parent drug was metabolized, and 70% was excreted with urine, albeit with large variations among drugs. Metabolism reduced the toxic potential of all but eight drugs. The subsequently modeled risk quotient was mostly below the threshold of one. However, ibuprofen and its metabolites in a mixture could pose an ecotoxicologal risk; and possibly also acetylsalicylic acid, bezafibrate, carbamazepine, diclofenac, fenofibrate, and paracetamol. Lipophilicity and sale quantities of parent drugs alone were insufficient to estimate their ecotoxicological risk. Urine separation could decrease the ecotoxicological risk of some, but not all drugs. The estimated risk quotients were equal in urine and feces, again with large variations among compounds. Because of scientific limitations of the model and inconsistent literature data the results are somewhat uncertain. However, this new approach allows first tier screening of single drugs, thus supporting decision-making.     

Macromolecular Engineering via Carbocationic Polymerization: Branched Structures,Block Copolymers and Nanostructures

This article features macromolecular engineering via carbocationic polymerization, the focus of research of the recently established Macromolecular Engineering Research Centre (MERC) at the University of Western Ontario. The fundamental philosophy of MERC is interdisciplinary research with a strong industrial orientation, while emphasizing the quest for fundamental understanding of polymerization processes and polymer structure‐property relationships. First, a brief overview of living polymerizations in general, and living carbocationic polymerizations in particular will be given. This latter technique is of interest because some monomers (e. g., isobutylene) can be polymerized by cationic techniques only, to yield polymers with unique properties (e. g., polyisobutylene with superior chemical and oxidative stability, low permeability and high damping). This will be followed by an overview of our research strategy and a summary of our latest results. These include the development of a fiber‐optic mid‐FTIR method for the real‐time monitoring of low temperature polymerization processes, the discovery that selected epoxides initiate effectively the living carbocationic polymerization of isobutylene, fundamental studies into the mechanism and kinetics of living carbocationic polymerization, and the design and synthesis of various polymer architectures (e. g., branched homo‐ and block copolymers) with improved properties and nanostructured phase morphologies.     

Antimicrobial functionalization of Ca alginate-coconut oil latent heat storing microcapsules by Ag nanoparticles

Latent heat storage by phase change materials (PCM) is a promising way of thermal energy storage for equilibrating the daily fluctuation of temperature in office- and home buildings. Bio-originated compounds have got great importance to evade further plastic contamination all over the world. Durability of biodegradable natural materials by means of environmentally friendly agents is an exciting challenge. In this study Ca alginate-coconut oil eco-friendly core-shell PCM microcapsules were functionalized with Ag nanoparticles, following their synthesis using harmless reducing agents. Throughout the preparation of the PCM microcapsules by repeated interfacial coacervation/crosslinking procedure, the Ag nanoparticles were homogeneously dispersed in the Ca alginate shell. High coconut oil content was achieved in the Ag nanoparticle-loaded microcapsules, which was not influenced by the Ag nanoparticle content. The high PCM content resulted in correspondingly high latent heat storing capability. The freezing and melting heat storing capacities were in the range of 83.6 and 85.6 J/g, as well as 89.7 to 92.6 J/g, respectively, matching to the extremely high PCM content in the range of 82.7% to 84.8% (m/m). Leaking of the heat storing microcapsules was not observed after 200 heating-cooling cycles. The Ag nanoparticle content did not influence the PCM ratio of the microcapsules, although as expected their antimicrobial potential was significantly enhanced by it. The highest Ag nanoparticle loading, that was 1.3% (m/m) related to the total mass of microcapsules, exerted excellent antibacterial and antifungal impact.     

Polyamine Metabolism under Different Light Regimes in Wheat

Although the relationship between polyamines and photosynthesis has been investigated at several levels, the main aim of this experiment was to test light-intensity-dependent influence of polyamine metabolism with or without exogenous polyamines. First, the effect of the duration of the daily illumination, then the effects of different light intensities (50, 250, and 500 μmol m^–2 s^–1) on the polyamine metabolism at metabolite and gene expression levels were investigated. In the second experiment, polyamine treatments, namely putrescine, spermidine and spermine, were also applied. The different light quantities induced different changes in the polyamine metabolism. In the leaves, light distinctly induced the putrescine level and reduced the 1,3-diaminopropane content. Leaves and roots responded differently to the polyamine treatments. Polyamines improved photosynthesis under lower light conditions. Exogenous polyamine treatments influenced the polyamine metabolism differently under individual light regimes. The fine-tuning of the synthesis, back-conversion and terminal catabolism could be responsible for the observed different polyamine metabolism-modulating strategies, leading to successful adaptation to different light conditions.     

Culinary herbs inhibit lipid oxidation in raw and cooked minced meat patties during storage

The effect of dried spices and the ethanol extract of those spices was studied on the stability of fresh chicken minced meat, and fresh and cooked pork patties pretreated with NaCl during refrigerated and frozen storage. The antioxidant activities of the spices were measured by thiobarbituric acid reactive substances (TBARS) and peroxide value (POV) in meat samples. The lipid oxidation was effectively inhibited in the chicken meat treated with several dry spices diminishing the TBARS to a range of 32% and 83% of those found in the control samples in frozen stored meat for 6 months. Marjoram, wild marjoram and caraway were the most effective dry spices. Ethanolic extracts of the same spices were more potent as antioxidants by lowering the concentration of the TBARS to a range of 20–27% of those found in the control samples. Addition of sodium salt to the minced pork resulted very high concentrations of the oxidation products originated from the polyunsaturated fatty acids. The treatment with ethanolic extract of spices (sage, basil, thyme and ginger) significantly inhibited the lipid peroxidation in refrigerated and chilled pork patties pretreated with NaCl by reducing both POV and TBARS. Heat treatment with microwaves produced significantly elevated levels of both lipid peroxides and TBARS, but the amount of these oxidation products was less than 10% in spice‐treated salted meat samples compared to that in untreated ones. Lipid peroxidation also grew continuously during the storage period at −18°C in raw and cooked samples. Ethanolic extracts of spices had a very strong antioxidative effect inhibiting lipid peroxidation in heat‐treated meat products during frozen storage. The highest antioxidant activity was observed in the case of ginger. High correlation coefficients were found between TBARS and POV both in raw and cooked pork patties (0.86, 0.91, respectively) during frozen storage. It is supposed that these compounds originated from the polyunsaturated fatty acids during oxidation processes but at different stages. Utilization of spices, spice mixtures or spice extracts in semi‐prepared meat products intended to be frozen for up to 6 months or more before consumption is proved to be advantageous in regard of shelf life of the food, as well as of human health, because of the beneficial effect of spices in inhibition of lipid peroxidation during heat treatment and chilling storage. © 1999 Society of Chemical Industry     

Crystallinity and accessibility of fibrous carboxymethylcellulose by pad-roll technology

Statistically designed experiments have been made on partially carboxymethylated cotton fabric. The effect of the reaction parameters (concentration of sodium hydroxide and mono-chioroacetic acid and period of time) on the crystallinity (measured by x-ray diffraction), on the iodine sorption and on the disorder of amorphous fraction (calculated from iodine sorption capacity) are presented by polynomial models. © 1996 John Wiley & Sons, Inc.     

Feedback Architecture

The specialist research and design unit in Aedas' London office focuses on three principal areas of research: computational design, advanced modelling and sustainable design. Christian Derix, Judit Kimpian, Abdulmajid Karanouh and Josh Mason of Aedas R&D explain how this cross-pollination of interests has led the practice to develop innovative approaches, exemplified by the design for Al Bahr Towers, the Abu Dhabi Investment Council Headquarters and the Digital Masterplanning (Digma) tool. Copyright © 2011 John Wiley & Sons, Ltd.     

Synthesis, structure, and in vitro antitumor activity of some glycoside derivatives of ferrocenyl-chalcones and ferrocenyl-pyrazolines

Some new glycosides of 3-ferrocenyl-1-(4'-hydroxyphenyl)-prop-2-en-1-one were prepared and transformed into the corresponding pyrazoline and pyrazole derivatives. Using methyl-hydrazine, formation of regioisomers was observed. DDQ was found to be a mild and efficient reagent for the pyrazoline-pyrazole dehydroaromatization process. The structure of the new compounds was proved by IR and NMR spectroscopy. The in vitro antitumor activity of the substances was investigated against human leukemia (HL-60) cells by the MTT method. Among these new compounds some chalcone derivatives (3 a, 3 b, 5 a, and 5 b) showed attractive in vitro antitumor effects on human leukemia cells. These molecules contained ferrocenyl moieties and a p-hydroxy-phenolic ring or a size-independent apolar substitution of that.     

Deactivation of Streptococcus mutans Biofilms on a Tooth Surface Using He Dielectric Barrier Discharge at Atmospheric Pressure

This paper presents a study of the effect of the low temperature atmospheric helium dielectric barrier discharge(DBD) on the Streptococcus mutans biofilms formed on tooth surface. Pig jaws were also treated by plasma to detect if there is any harmful effect on the gingiva.The plasma was characterized by using optical emission spectroscopy.Experimental data indicated that the discharge is very effective in deactivating Streptococcus mutans biofilms.It can destroy them with an average decimal reduction time(D-time) of 19 s and about 98%of thein were killed after a treatment time of 30 s.According to the survival curve kinetic an overall 32 s treatment time would be necessary to perform a complete sterilization.The experimental results presented in this study indicated that the helium dielectric barrier discharge,in plan-parallel electrode configuration,could be a very effective tool for deactivation of oral bacteria and might be a promising technique in various dental clinical applications.