Currently, great attention is focused on conducting manufacture processes using clean and eco-friendly technologies. This research trend also relates to the production of immobilized biocatalysts of industrial importance using matrices and methods that fulfill specified operational and environmental requirements. For that reason, hydrogels of natural origin and the entrapment method become increasingly popular in terms of enzyme immobilization. The presented work is the comparative research on invertase immobilization using two natural hydrogel matrices—alginate and gelatin. During the study, we provided the molecular insight into the structural characteristics of both materials regarding their applicability as effective enzyme carriers. In order to confirm our predictions of using these hydrogels for invertase immobilization, we performed the typical experimental studies. In this case, the appropriate conditions of enzyme entrapment were selected for both types of carrier. Next, the characterization of received invertase preparations was made. As a final experimental result, the gelatin-based hydrogel was selected as an effective carrier for invertase immobilization. Hereby, using mild conditions and a pro-ecological, biodegradable matrix, it was possible to obtain very stable and reactive biocatalyst. The choice of gelatin-immobilized invertase preparation was compatible with our predictions based on the molecular models of hydrogel matrices and enzyme used.

The presented research is focused on an investigation of the effect of the addition of polyvinyl alcohol (PVA) to a gelatin-based hydrogel on the functional properties of the resulting material. The main purpose was to experimentally determine and compare the properties of hydrogels differing from the content of PVA in the blend. Subsequently, the utility of these matrices for the production of an immobilized invertase preparation with improved operational stability was examined. We also propose a useful computational tool to predict the properties of the final material depending on the proportions of both components in order to design the feature range of the hydrogel blend desired for a strictly specified immobilization system (of enzyme/carrier type). Based on experimental research, it was found that an increase in the PVA content in gelatin hydrogels contributes to obtaining materials with a visibly higher packaging density, degree of swelling, and water absorption capacity. In the case of hydrolytic degradation and compressive strength, the opposite tendency was observed. The functionality studies of gelatin and gelatin/PVA hydrogels for enzyme immobilization indicate the very promising potential of invertase entrapped in a gelatin/PVA hydrogel matrix as a stable biocatalyst for industrial use. The molecular modeling analysis performed in this work provides qualitative information about the tendencies of the macroscopic parameters observed with the increase in the PVA and insight into the chemical nature of these dependencies.

To successfully design and optimize the application of hydrogel matrices one has to effectively combine computational design tools with experimental methods. In this context, one of the most promising techniques is molecular modeling, which requires however accurate molecular models representing the investigated material. Although this method has been successfully used over the years for predicting the properties of polymers, its application to biopolymers, including gelatin, is limited. In this paper we provide a method for creating an atomistic representation of gelatin based on the modified FASTA codes of natural collagen. We show that the model created in this manner reproduces known experimental values of gelatin properties like density, glass-rubber transition temperature, WAXS profile and isobaric thermal expansion coefficient. We also present that molecular dynamics using the INTERFACE force field provides enough accuracy to track changes of density, fractional free volume and Hansen solubility coefficient over a narrow temperature regime (273–318 K) with 1 K accuracy. Thus we depict that using molecular dynamics one can predict properties of gelatin biopolymer as an efficient matrix for immobilization of various bioactive compounds, including enzymes.

This work addresses the issue of laser-induced white light generation by nano- and micro-diamond powder and the accompanying redox processes occurring at the surface of the particles. The broadband white light is generated by near infra-red continuous wave laser (975 nm) on micro and nano-diamond powders sealed in lightbulb-like devices. It is shown that the emission from diamond samples is a highly nonlinear process with apparent saturation close to 1 W of the optical excitation power. Multiband mechanism and mixed hybridization at particle surface are further discussed as a possible origin of the white light emission. Changes in the sp²/sp³ ratio upon the laser excitation are here discussed in terms of molecular dynamics simulations. Observed surface changes related to diamond graphitization are considered further as possible pathways for chemical reactions at the interface of the glass and diamond samples. Obtained results bring relevant physical premises according to the possible mechanism responsible for the white emission from diamond-like carbon materials, its mechanisms, and an essential figure of merit considering the diverse applicability of this phenomenon in various electronic devices.

Biobased hydrogels are three-dimensional polymeric matrices with a unique high water-holding capacity, which are mainly obtained from polysaccharides and proteins. Such a variety of natural polymer structures offers a range of hydrogel products with interesting physicochemical and biological properties. Nowadays, these matrices are already used in many industrial and environmental fields, which is considered extremely important. Moreover, the literature on the subject is constantly expanding, especially in areas of scientific research. The main purpose of this article is to briefly review the current development of matrices composition and properties of hydrogels of natural origin, considered as functional platforms in three application areas, primarily in biocatalysis, nutrition and medicine. The description of individual issues in the present article is supported by examples of case studies described in our previously published research papers, as well as considered in current projects of our research group.