Advances in nanomedicine, coupled with novel methods of creating advanced materials at the nanoscale, have opened new perspectives for the development of healthcare and medical products. Special attention must be paid toward safe design approaches for nanomaterial‐based products. Recently, artificial intelligence (AI) and machine learning (ML) gifted the computational tool for enhancing and improving the simulation and modeling process for nanotoxicology and nanotherapeutics. In particular, the correlation of in vitro generated pharmacokinetics and pharmacodynamics to in vivo application scenarios is an important step toward the development of safe nanomedicinal products. This review portrays how in vitro and in vivo datasets are used in in silico models to unlock and empower nanomedicine. Physiologically based pharmacokinetic (PBPK) modeling and absorption, distribution, metabolism, and excretion (ADME)‐based in silico methods along with dosimetry models as a focus area for nanomedicine are mainly described. The computational OMICS, colloidal particle determination, and algorithms to establish dosimetry for inhalation toxicology, and quantitative structure–activity relationships at nanoscale (nano‐QSAR) are revisited. The challenges and opportunities facing the blind spots in nanotoxicology in this computationally dominated era are highlighted as the future to accelerate nanomedicine clinical translation.

The honeybee dance “language” is one of the most popular examples of information transfer in the animal world. Today, more than 60 years after its discovery it still remains unknown how follower bees decode the information contained in the dance. In order to build a robotic honeybee that allows a deeper investigation of the communication process we have recorded hundreds of videos of waggle dances. In this paper we analyze the statistics of visually captured high-precision dance trajectories of European honeybees (Apis mellifera carnica). The trajectories were produced using a novel automatic tracking system and represent the most detailed honeybee dance motion information available. Although honeybee dances seem very variable, some properties turned out to be invariant. We use these properties as a minimal set of parameters that enables us to model the honeybee dance motion. We provide a detailed statistical description of various dance properties that have not been characterized before and discuss the role of particular dance components in the commmunication process.

The knowledge about a potential in vivo uptake and subsequent toxicological effects of aluminum (Al), especially in the nanoparticulate form, is still limited. This paper focuses on a three day oral gavage study with three different Al species in Sprague Dawley rats. The Al amount was investigated in major organs in order to determine the oral bioavailability and distribution. Al-containing nanoparticles (NMs composed of Al 0 and aluminum oxide (Al 2 o 3)) were administered at three different concentrations and soluble aluminum chloride (AlCl 3 •6H 2 O) was used as a reference control at one concentration. A microwave assisted acid digestion approach followed by inductively coupled plasma mass spectrometry (ICP-MS) analysis was developed to analyse the Al burden of individual organs. Special attention was paid on how the sample matrix affected the calibration procedure. After 3 days exposure, AlCl 3 •6H 2 o treated animals showed high Al levels in liver and intestine, while upon treatment with Al 0 NMs significant amounts of Al were detected only in the latter. In contrast, following Al 2 o 3 NMs treatment, Al was detected in all investigated organs with particular high concentrations in the spleen. A rapid absorption and systemic distribution of all three Al forms tested were found after 3-day oral exposure. The identified differences between Al 0 and Al 2 o 3 NMs point out that both, particle shape and surface composition could be key factors for Al biodistribution and accumulation. Aluminum is one of the most abundant elements on earth and is widely used in many different consumer product applications due to its unique characteristics. As an ubiquitous element, Al occurs in natural sources, e.g. food and drinking water, as well as in food additives, packaging and kitchenware 1,2. Besides industrial, also agricultural, medical and consumer product uses are known for synthetic alumina, mixed Al silicate and Al oxide NMs. Especially composite materials containing Al show favourable properties when being used as packaging materials for the protection of food against humidity and oxidation and are more and more common 3-6. Moreover, various Al salts are used in food as additives, e.g. as stabilizers, pH regulators and anti-caking agents 7,8. As a consequence of modern life style Al-containing materials and substances are of high abundance in the human environment. In our study we could show de novo synthesis of Al-containing nanomaterials from ions after induction of a pH shift 9. Based on this and because of the detection and quantification of Al in biological media is difficult, one should assume at least partial particle concentration in the body after oral uptake of Al. This raises questions about the potential hazard of particulate Al species. Adverse effects of Al have been repeatedly discussed in the past. Neurodegenerative diseases such as Alzheimer's 10,11 as well as certain bone diseases 12-14 and dialysis dementia 15,16 have been attributed to Al exposure. Although inhalation and dermal uptake of Al may ...

Cells in their natural environment often exhibit complex kinetic behavior and radical adjustments of their shapes. This enables them to accommodate to short- and long-term changes in their surroundings under physiological and pathological conditions. Intravital multi-photon microscopy is a powerful tool to record this complex behavior. Traditionally, cell behavior is characterized by tracking the cells' movements, which yields numerous parameters describing the spatiotemporal characteristics of cells. Cells can be classified according to their tracking behavior using all or a subset of these kinetic parameters. This categorization can be supported by the a priori knowledge of experts. While such an approach provides an excellent starting point for analyzing complex intravital imaging data, faster methods are required for automated and unbiased characterization. In addition to their kinetic behavior, the 3D shape of these cells also provide essential clues about the cells' status and functionality. New approaches that include the study of cell shapes as well may also allow the discovery of correlations amongst the track- and shape-describing parameters. In the current study, we examine the applicability of a set of Fourier components produced by Discrete Fourier Transform (DFT) as a tool for more efficient and less biased classification of complex cell shapes. By carrying out a number of 3D-to-2D projections of surface-rendered cells, the applied method reduces the more complex 3D shape characterization to a series of 2D DFTs. The resulting shape factors are used to train a Self-Organizing Map (SOM), which provides an unbiased estimate for the best clustering of the data, thereby characterizing groups of cells according to their shape. We propose and demonstrate that such shape characterization is a powerful addition to, or a replacement for kinetic analysis. This would make it especially useful in situations where live kinetic imaging is less practical or not possible at all. © 2017 International Society for Advancement of Cytometry.