We present a theoretical approach for the in silico generation of new polymer structures for the systematic search for new materials with advanced properties. It is based on Bicerano’s Regression Model (RM), which uses the structure of the smallest repeating unit (SRU) for fast and adequate prediction of polymer properties. We have developed the programs (a) GenStruc, for generating the new polymer SRUs using the enumeration and Monte Carlo algorithms, and (b) PolyPred, for predicting properties for a given input polymer as well as for multiple structures stored in the database files. The structure database from the original Bicerano publication is used to create databases of backbones and pendant groups. A database of 5,142,153 unique SRUs is generated using the scaffold-based combinatorial method. We show that using only known backbones of the polymer SRU and varying the pendant groups can significantly improve the predicted extreme values of polymer properties. Analysis of the obtained results for the dielectric constant and refractive index shows that the values of the dielectric constant are higher for polyhydrazides than for polyhydroxylamines. The high value predicted for the refractive index of polythiophene and its derivatives is in agreement with the experimental data.

In the manufacturing sector, transport phenomena near the stagnation region are frequent, particularly in the polymer and extrusion processes, which require continuous improvement to raise the process’s quality standards. The aim of this study is to explore the improvement of heat and mass transmission using unsteady magnetohydrodynamic (MHD) hybrid nanofluid (HNF) flow over a stretching/shrinking cylinder with variable viscosity and Stefan blowing. The governed equations of heat and mass transfer processes are converted into ordinary differential equations (ODEs) using the appropriate transformations, and the resulting equations are then solved using the MATLAB package bvp4c. With an upsurge in the volume fraction of nanoparticles, the skin friction increases, but the reverse trend is detected with negative values for the unsteadiness constraint. The use of 2D graphs to show how important parameters affect the velocity, temperature, and concentration is thoroughly discussed. There is a discussion of the quantitative findings from the wall shear factor and the heat and mass transfer rates calculated for the stretching/shrinking cases.

Investigating the behavior of cardiomyocytes is an important part of drug development. We present a structure and a related nanoimprint-based fabrication method, where the cardiomyocytes form isolated fibers, which is beneficial for drug testing, more closely representing the structure of the cardiomyocytes in vivo. We found that channel structures with walls with a rough top surface stimulate cardiomyocytes to form such fibers, as desired. Nanoimprint lithography is used as a fast and cost-efficient method to fabricate our hierarchically structured cell growth substrates.

This article reports on polymer (PLLA, poly(L-lactic acid)) nanosheets incorporated with Fe-ion nanoparticles, aiming at using the latter nanoparticles as a source to release Fe ions. Such Fe ions should facilitate burn wound healing when such nanosheets are applied as a biomedical tissue on skin. Laser ablation in liquid phase was used to produce Fe-containing nanoparticles that, after incorporation into PLLA nanosheets, would release Fe ions upon immersion in water. Unlike most iron-oxide nanostructures, which are poorly soluble, such nanoparticles prepared in chloroform were found to have water solubility, as they were shown by XPS to be based on iron chloride and oxide phases. After incorporation into PLLA nanosheets, the ion-release test demonstrated that Fe ions could be released successfully into water at pH 7.4. Incorporation with two different metal ions (Fe and Zn) was also found to be efficient, as both types of ions were demonstrated to be released simultaneously and with comparable release rates. The results imply that such polymer nanosheets show promise for biomedical applications as potential patches for healing of burns.

Chitin (usually derived from aq. arthropods like shrimp Pandalus borealis) acts as a potent metal sorbent in both environmental monitoring and retention applications such as wastewater purification or nuclear fuel reprocessing. Given this established (starting in the 1970s) use of chitin and the fact that adsorption of metal ions/complexes to chitin does increase the currents observed in metal-centered redox couples by a factor of about 10, it is straightforward to conceive self-organized (by adsorption modified by adding certain ligands bridging M and chitin) surface films which exert electrical information processing by means of inner-sphere redox processes. Preliminary work is shown concerning the influence of ligands—including some possibly acting as inner-sphere-transfer agents, like caffeic acid—on metal ion retention by chitin. Another ligand is reported to enhance current flow into electrodes (i.e., electron injection from some reducing cation). These inner-sphere redox processes, in turn, can be controlled by creating or removing a chain of conjugated double bonds, e.g., by Diels–Alder reactions. Devices admitting corresponding reagents in a controlled manner and appropriate array then act as NAND gates, thus being components capable of performing each kind of classical computation. Applications in environmental analysis and “green” computing for simple purposes like electronic keys are suggested. The empirical basis for these conclusions includes studies on the influences of ligand additions on M adsorption (Mn, Ni, several REEs…) on chitin; some of these bridging ligands, like caffeinate and ferulate, can reversibly react with appropriate dienes. At the employed concentrations, distances among adsorbed metal ions are 1–3 nm, meaning that the charge-flow control takes spacer ligands like carotenoids. Practical setups are pointed to, using evidence from ligand-augmented metal ion–chitin interactions, which might combine oxidizing (Ce) and optically address reducing (Eu) metal ions into a framework for coligand-controlled charge flow.

Countries that do not have oil and natural gas but are forced to reduce pollution due to combustion have stimulated and developed new technologies for absorption, storage, and energy creation based on nanotechnology. These new technologies are up-and-coming because they will solve the problem without additional environmental burden. The first technology is based on phase change materials (PCMs) that store the thermal energy produced by the sun and release it when requested. In the context of this article, there is a discussion about some devices that arise from this technology. The second technology is based on light nano-traps that convert solar energy into heat, which is then stored by heating water or other methods. The third practice is to absorb solar energy from nanoparticles, producing electricity. These technologies’ principles will be discussed and analyzed to understand their perspectives.

We present two approaches for fabricating shadow masks for the evaporation of electrodes onto nanomaterials. In the first one, we combine the use of a commercial fiber laser engraving system with readily available aluminum foil. This method is suitable for fabricating shadow masks with line widths of 50 µm and minimum feature separation of 20 µm, and using it to create masks with complex patterns is very straightforward. In the second approach, we use a commercially available vinyl cutting machine to pattern a vinyl stencil mask, and we use a glass fiber to define the separation between the electrodes. With this approach, we achieve well-defined electrodes separated by 15 µm, but this technique is less versatile in creating complex masks as compared with the laser-based one. We demonstrate the potential of these techniques by fabricating field-effect transistor devices based on MoS2. Our approach is a cost-effective and easily accessible method for fabricating shadow masks with high resolution and accuracy, making it accessible to a wider range of laboratories.

The self-healing of cementitious materials can be achieved by precipitation of calcium carbonate through the enzymatic hydrolysis of urea. When a crack appears in cement, the damage can be repaired by allowing bacteria to encounter the water seeping through the crack. This forms a calcium carbonate, which heals the cracks. This occurs because microorganisms begin metabolizing and precipitating the mineral, healing the damage caused by the crack. Then, bacteria are incorporated into various containers, which release microorganisms by crushing, leading to the precipitation of calcium carbonate. In addition, this paper references the superabsorbent polymers (SAP) used for self-healing and hybrid organic-inorganic core–shell SAPs, a recently developed, state-of-the-art self-healing technology for cementitious materials.

In this paper, three types of optical textured glass substrates were prepared at the glass/transparent conductive oxide interface using polydimethylsiloxane nanoimprint lithography to increase the conversion efficiency of dye-sensitized solar cells (DSSCs). There were three types of textures: nanotexture, microtexture, and micro/nano double texture. In terms of optical characteristics, it was confirmed that the reflectance of all of the textured glass substrates was lower than that of flat glass in the mean value of the 400–800 nm wavelength band. Further, the diffuse transmittance was higher than that of flat glass for all of the textured glass substrates, and the D-Tx was particularly high. DSSCs were fabricated using N749 and N719 dyes; their size was 6 mm2. The conversion efficiencies of the N749 DSSCs were improved by 11% for the N-Tx (η of 2.41%) and 10% for the D-Tx (η of 2.38%) compared with flat glass (η of 2.17%) DSSCs. On the other hand, the M-Tx did not improve it. The conversion efficiencies of the N719 DSSCs with textured glass substrates were improved by 7.5% for the M-Tx (η of 2.74%), 18% for the N-Tx (η of 3.01%), and 26% for the D-Tx (η of 3.22%) compared with flat glass (η of 2.55%) DSSCs.

High-temperature anneals of nonstoichiometric Si oxide (SiOx, x < 2) films induce phase separation in them, with the formation of composite structures containing amorphous or crystalline Si nanoinclusions embedded in the Si oxide matrix. In this paper, a thermodynamic theory of the phase separation process in SiOx films is proposed. The theory is based on the thermodynamic models addressing various aspects of this process which we previously developed. A review of these models is provided, including: (i) the derivation of the expressions for the Gibbs free energy of Si oxides and Si/Si oxide systems, (ii) the identification of the phase separation driving forces and counteracting mechanisms, and (iii) the crystallization behavior of amorphous Si nanoinclusions in the Si oxide matrix. A general description of the phase separation process is presented. A number of characteristic features of the nano-Si/Si oxide composites formed by SiOx decomposition, such as the local separation of Si nanoinclusions surrounded by the Si oxide matrix; the dependence of the amount of separated Si and the equilibrium matrix composition on the initial Si oxide stoichiometry and annealing temperature; and the correlation of the presence of amorphous and crystalline Si nanoinclusions with the presence of SiOx (x < 2) and SiO2 phase, respectively, in the Si oxide matrix, are explained.