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BackgroundThe lung epithelial tissue barrier represents the main portal for entry of inhaled nanoparticles (NPs) into the systemic circulation. Thus great efforts are currently being made to determine adverse health effects associated with inhalation of NPs. However, to date very little is known about factors that determine the pulmonary translocation of NPs and their subsequent distribution to secondary organs.MethodsA novel two-step approach to assess the biokinetics of inhaled NPs is presented. In a first step, alveolar epithelial cellular monolayers (CMLs) at the air-liquid interface (ALI) were exposed to aerosolized NPs to determine their translocation kinetics across the epithelial tissue barrier. Then, in a second step, the distribution to secondary organs was predicted with a physiologically based pharmacokinetic (PBPK) model. Monodisperse, spherical, well-characterized, negatively charged gold nanoparticles (AuNP) were used as model NPs. Furthermore, to obtain a comprehensive picture of the translocation kinetics in different species, human (A549) and mouse (MLE-12) alveolar epithelial CMLs were exposed to ionic gold and to various doses (i.e., 25, 50, 100, 150, 200 ng/cm2) and sizes (i.e., 2, 7, 18, 46, 80 nm) of AuNP, and incubated post-exposure for different time periods (i.e., 0, 2, 8, 24, 48, 72 h).ResultsThe translocation kinetics of the AuNP across A549 and MLE-12 CMLs was similar. The translocated fraction was (1) inversely proportional to the particle size, and (2) independent of the applied dose (up to 100 ng/cm2). Furthermore, supplementing the A549 CML with two immune cells, i.e., macrophages and dendritic cells, did not significantly change the amount of translocated AuNP. Comparison of the measured translocation kinetics and modeled biodistribution with in vivo data from literature showed that the combination of in vitro and in silico methods can accurately predict the in vivo biokinetics of inhaled/instilled AuNP.ConclusionOur approach to combine in vitro and in silico methods for assessing the pulmonary translocation and biodistribution of NPs has the potential to replace short-term animal studies which aim to assess the pulmonary absorption and biodistribution of NPs, and to serve as a screening tool to identify NPs of special concern.Electronic supplementary materialThe online version of this article (doi:10.1186/s12989-015-0090-8) contains supplementary material, which is available to authorized users.

Methods to predict the bioaccumulation potential of per- and polyfluorinated alkyl substances (PFAS) are sorely needed, given the proliferation of these substances and lack of data on their properties and behavior. Here, we test whether molecular docking, a technique where interactions between proteins and ligands are simulated to predict both bound conformation and interaction affinity, can be used to predict PFAS binding strength and biological half-life. We show that an easy-to-implement docking program, Autodock Vina, can successfully redock perfluorooctanesulfonate (PFOS) to human serum albumin with deviations smaller than 2 Å. Furthermore, predicted binding strengths largely fall within one standard deviation of measured values for perfluorinated alkyl acids (PFAAs). Correlations with half-lives suggest both membrane partitioning and protein interactions are important, and that serum albumin is only one of a number of proteins controlling the fate of these chemicals in organisms. However, few data are available for validation of our approach as a broad screening tool, and available data are highly variable. We therefore call for collection of new data, particularly including proteins other than serum albumin and substances beyond perfluorooctanoic acid (PFOA) and PFOS. The methods we discuss in this work can serve as a framework for guiding such data collection.

BackgroundThe use of gold nanoparticles (Au-NP) based medical applications is rising due to their unique physical and chemical properties. Diagnostic devices based on Au-NP are already available in the market or are in clinical trials and Au-NP based therapeutics and theranostics (combined diagnostic and treatment modality) are in the research and development phase. Currently, no information on Au-NP consumption, material flows to and concentrations in the environment are available. Therefore, we estimated prospective maximal consumption of Au-NP from medical applications in the UK and US. We then modelled the Au-NP flows post-use and predicted their environmental concentrations. Furthermore, we assessed the environment risks of Au-NP by comparing the predicted environmental concentrations (PECs) with ecological threshold (PNEC) values.ResultsThe mean annual estimated consumption of Au-NP from medical applications is 540 kg for the UK and 2700 kg for the US. Among the modelled concentrations of Au-NP in environmental compartments, the mean annual PEC of Au-NP in sludge for both the UK and US was estimated at 124 and 145 μg kg−1, respectively. The mean PEC in surface water was estimated at 468 and 4.7 pg L−1, respectively for the UK and US. The NOEC value for the water compartment ranged from 0.12 up to 26,800 μg L−1, with most values in the range of 1000 μg L−1.ConclusionThe results using the current set of data indicate that the environmental risk from Au-NP used in nanomedicine in surface waters and from agricultural use of biosolids is minimal in the near future, especially because we have used a worst-case use assessment. More Au-NP toxicity studies are needed for the soil compartment.Electronic supplementary materialThe online version of this article (doi:10.1186/s12951-015-0150-0) contains supplementary material, which is available to authorized users.

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With regard to heterogeneous catalysis by gold and, in particular, hydrogenation reactions, there is no consensus on the oxidation state of the catalytically active species. By means of high‐resolution X‐ray absorption spectroscopy, we determined in situ the oxidation state of gold in the functioning catalyst Au/CeO2 in the slurry phase of the hydrogenation of nitrobenzene at high pressure. The conversion of nitrobenzene was monitored simultaneously by means of online attenuated total reflectance–Fourier transform infrared spectroscopy. We found that catalysts without measurable amounts of cationic gold were more active than catalysts with cationic gold. Any cationic gold that remained after pretreatment was reduced under reaction conditions, without any loss of activity. No evidence was found that the cationic gold contributed to the catalytic activity.

Nanoparticle-containing sprays are a critical class of consumer products, since human exposure may occur by inhalation of nanoparticles (NP) in the generated aerosols. In this work, the suspension and the released aerosol of six different commercially available consumer spray products were analyzed. Next to a broad spectrum of analytical methods for the characterization of the suspension, a standardized setup for the analysis of aerosol has been used. In addition, a new online coupling technique (SMPS-ICPMS) for the simultaneous analysis of particle size and elemental composition of aerosol particles has been applied. Results obtained with this new method were confirmed by other well-established techniques. Comparison of particles in the original suspensions and in the generated aerosol showed that during spraying single particles of size less than 20 nm had been formed, even though in none of the suspensions particles of size less than 280 nm were present (Aerosol size range scanned: 7-300 nm). Both pump sprays and propellant gas sprays were analyzed and both released particles in the nm size range. Also, both water-based and organic solvent-based sprays released NP. However, a trend was observed that spraying an aqueous suspension contained in a pump spray dispenser after drying resulted in bigger agglomerates than spraying organic suspensions in propellant gas dispensers. Keywords Nanoparticles Á Nano-spray Á spICPMS Á TEM Á SMPS Á Inhalation exposure Market surveys identified silver (Benn et al. 2010; Chen and Schluesener 2008; Kaegi et al. 2010), zinc oxide (Graf et al. 2013), titanium dioxide (Skocaj et al. 2011), carbon and silica (Zhu et al. 2010) as the species that are most frequently used as nanoparticles Electronic supplementary material The online version of this article (