To better understand the potential of drug repurposing in COVID-19, we analyzed control strategies over essential host factors for SARS-CoV-2 infection. We constructed comprehensive directed protein–protein interaction (PPI) networks integrating the top-ranked host factors, the drug target proteins and directed PPI data. We analyzed the networks to identify drug targets and combinations thereof that offer efficient control over the host factors. We validated our findings against clinical studies data and bioinformatics studies. Our method offers a new insight into the molecular details of the disease and into potentially new therapy targets for it. Our approach for drug repurposing is significant beyond COVID-19 and may be applied also to other diseases.

Current advances in computational modelling and simulation have led to the inclusion of computer scientists as partners in the process of engineering of new nanomaterials and nanodevices. This trend is now, more than ever, visible in the field of deoxyribonucleic acid (DNA)-based nanotechnology, as DNA’s intrinsic principle of self-assembly has been proven to be highly algorithmic and programmable. As a raw material, DNA is a rather unremarkable fabric. However, as a way to achieve patterns, dynamic behavior, or nano-shape reconstruction, DNA has been proven to be one of the most functional nanomaterials. It would thus be of great potential to pair up DNA’s highly functional assembly characteristics with the mechanic properties of other well-known bio-nanomaterials, such as graphene, cellulos, or fibroin. In the current study, we perform projections regarding the structural properties of a fibril mesh (or filter) for which assembly would be guided by the controlled aggregation of DNA scaffold subunits. The formation of such a 2D fibril mesh structure is ensured by the mechanistic assembly properties borrowed from the DNA assembly apparatus. For generating inexpensive pre-experimental assessments regarding the efficiency of various assembly strategies, we introduced in this study a computational model for the simulation of fibril mesh assembly dynamical systems. Our approach was based on providing solutions towards two main circumstances. First, we created a functional computational model that is restrictive enough to be able to numerically simulate the controlled aggregation of up to 1000s of elementary fibril elements yet rich enough to provide actionable insides on the structural characteristics for the generated assembly. Second, we used the provided numerical model in order to generate projections regarding effective ways of manipulating one of the the key structural properties of such generated filters, namely the average size of the openings (gaps) within these meshes, also known as the filter’s aperture. This work is a continuation of Amarioarei et al., 2018, where a preliminary version of this research was discussed.

The main objective of the present study is to reveal the palette of pigments and the other specific constituent materials as well as the techniques used by the Roman artists to create the mural paintings discovered in the ancient city of Tomis, the modern-day Constanţa, Romania’s largest seaport and a major tourist hub on the Black Sea. This paper is an archeometric study based on the physical, chemical and biological analyses of the archeological Roman mural painting fragments from the ancient city of Tomis dating from the 5th to 6th century A.D. and to our knowledge is among the very few research studies carried out so far on the ancient Roman wall painting discovered in Romania. The methods of scientific investigation employed directly on the archeological fragments, on samples taken from the fragments and on the cross-sections prepared from the samples were: optical microscopy (OM), digital microscopy, X-ray fluorescence spectrometry (XRF) and attenuated total reflectance Fourier-transform infrared spectroscopy (ATR-FTIR). Examination and analysis of the archeological mural fragments revealed that the painted fragments consist of ground support and successive layers of color displaying specific characteristics of the artistic technique, such as imitation of marble cladding or meticulous smoothing of the surface to achieve a glossy and compact finish. It was also found that fragments exhibit subtle variations in different colors, identified in general terms, showing seven color tones: cinnabar red, red-violet, red ochre, yellow ochre, white, gray-blue, gray-black and black. The physical–chemical and biological analyses carried out provide the diagnosis and theoretical basis for choosing an appropriate conservation methodology and the correct restoration treatment of the discovered mural painting, with a view to its museum display through exhibition and virtual reconstruction and scientific use by the setting up of a useful database for researchers or specialists in museums on Roman archeology and art.