Modeling and Simulation of Electromutagenic Processes for Multiscale Modification of Concrete
Concrete contains numerous pores that allow degradation when chloride ions migrate through these paths and make contact with the steel reinforcement in a structure. Chlorides come mainly from the sea or de-icing salts. To keep the reinforcement from being exposed to chlorides, it is possible to electrokinetically force nanoparticles into the pores, blocking access. This procedure is called electrokinetic nanoparticle treatment. When the particles used are reactive in nature, the process becomes both structural and chemical in nature. We use the term electromutagenic processing to describe such extensive electrochemical remodeling. Filling the pores in a block of concrete with solid materials or nanoparticles tends to improve the strength significantly. In this paper, results obtained from modeling and simulation were aimed at multi-scale porosity reduction of concrete. Since nanoparticles and pores were modeled with spheres and cylinders having different sizes, the results were compared with traditional sphere packing problems in mathematics. There were significant differences observed related to the sizes of spheres and allowable boundary conditions. From traditional sphere packing analysis the highest porosity reduction anticipated was 74%. In contrast, the highest pore reduction obtained in this work was approximately 50%, which matched results from actual electrokinetic nanoparticle treatments. This work also compared the analytical and simulation methods used for several sizes of nanoparticles and pores.
COST-EFFECTIVE EXTRACTION OF CHLORIDES FROM BRIDGE STEELS
Severe corrosion and pitting of steel from chloride contamination is a major maintenance problem facing bridge owners in various environments. This article briefly explains the relationship between chloride extraction and ambient conditions and then describes a cost-effective method for extracting chloride contaminants from steel. The anti-corrosive qualities of protective coatings are improved when chloride ion contamination is not present at the steel/coating interface. Because this extraction method works effectively in environments with high humidity, substantial cost savings can be achieved because traditional humidity restrictions for blast cleaning can be avoided.
Atomistic insight into novel co-delivery of doxorubicin and paclitaxel using fullerene modified by dimethyl acrylamide trimethyl chitosan: A computational study

 Background: The distribution of drugs could not be controlled in the conventional drug delivery system. This has led to the development of a smart nanoparticle-based drug delivery system, known as smart drug delivery systems. In cancer research, novel biocompatible nanocarriers have received much attention for various ranges of anticancer drugs.In the current study, the effect of a novel co-polymer "dimethyl acrylamide-trimethyl chitosan" was investigated on drug delivery of doxorubicin and paclitaxel utilizing modified fullerene nanocarrier. This study was performed via molecular dynamics simulation based on acidic pH sensitivity of the cancer microenvironment. Furthermore, hydrogen bonds, diffusion coefficient, gyration radius, and drug-carrier interaction energies were investigated here. Interestingly, a simultaneous pH and temperature-sensitive system was proposed for paclitaxel and doxorubicin for a co-polymer. A pH-sensitive and temperature-sensitive copolymer was used based on trimethyl chitosan and dimethyl acrylamide, respectively. In such a dualistic approach, co-polymer makes an excellent option to have two properties in one bio-polymer. Results: The results suggest the dramatic and indisputable role of the co-polymer in the release of doxorubicin and paclitaxel in cancerous tissues, as well as an increased biocompatibility and drug uptake in a neutral state. The validation test was performed by repeated simulations of a similar article. The results are very close to those of the reference paper .Conclusions: Overall, conjugated fullerene and dimethyl acrylamide-trimethyl chitosan (DMAA-TMC) as carriers can be a good proposition for loading, delivery, and release of anti-cancer drugs based on a pH/temperature-sensitive smart drug delivery system.