Additional file 1 of Physical activity during pregnancy and the risk of gestational diabetes mellitus: a systematic review and dose–response meta-analysis

Supplementary Material 1

Comparative Study of Machine Learning-Based QSAR Modeling of Anti-inflammatory Compounds from Durian Extraction

Quantitative structure–activity relationship (QSAR) analysis, an in silico methodology, offers enhanced efficiency and cost effectiveness in investigating anti-inflammatory activity. In this study, a comprehensive comparative analysis employing four machine learning algorithms (random forest (RF), gradient boosting regression (GBR), support vector regression (SVR), and artificial neural networks (ANNs)) was conducted to elucidate the activities of naturally derived compounds from durian extraction. The analysis was grounded in the exploration of structural attributes encompassing steric and electrostatic properties. Notably, the nonlinear SVR model, utilizing five key features, exhibited superior performance compared to the other models. It demonstrated exceptional predictive accuracy for both the training and external test datasets, yielding R2 values of 0.907 and 0.812, respectively; in addition, their RMSE resulted in 0.123 and 0.097, respectively. The study outcomes underscore the significance of specific structural factors (denoted as shadow ratio, dipole z, methyl, ellipsoidal volume, and methoxy) in determining anti-inflammatory efficacy. Thus, the findings highlight the potential of molecular simulations and machine learning as alternative avenues for the rational design of novel anti-inflammatory agents

Extreme Mechanical Behavior of Nacre-Mimetic Graphene-Oxide and Silk Nanocomposites

Biological materials have the ability to withstand extreme mechanical forces due to their unique multilevel hierarchical structure. Here, we fabricated a nacre-mimetic nanocomposite comprised of silk fibroin and graphene oxide that exhibits hybridized dynamic responses arising from alternating high-contrast mechanical properties of the components at the nanoscale. Dynamic mechanical behavior of these nanocomposites is assessed through a microscale ballistic characterization using a 7.6 μm diameter silica sphere moving at a speed of approximately 400 m/s. The volume fraction of graphene oxide in these composites is systematically varied from 0 to 32 vol % to quantify the dynamic effects correlating with the structural morphologies of the graphene oxide flakes. Specific penetration energy of the films rapidly increases as the distribution of graphene oxide flakes evolves from noninteracting, isolated sheets to a partially overlapping continuous sheet. The specific penetration energy of the nanocomposite at the highest graphene oxide content tested here is found to be significantly higher than that of Kevlar fabrics and close to that of pure multilayer graphene. This study evidently demonstrates that the morphologies of nanoscale constituents and their interactions are critical to realize scalable high-performance nanocomposites using typical nanomaterial constituents having finite dimensions

THE DEVELOPMENT OF THE TECHNOLOGICAL BASES FOR OBTAINING AND PROCESSING OF THE BASE THERMOPLASTIC BUTADIEN-NITRIL ELASTOMERS

The object of investigation: the butadien-nitril rubber, polyvinylchloride, polystirol, polycarbonate, ABC-plastics, polyamide, acetylcellulose, polypropylene. The theoretical justification has been given, the mathematical model of the quality of the base materials, the mathematical model of optimization of the modified thermoplastic elastomers recipe have been developed, the influence of the fillers and plastificators of the different nature on the consumers properties of the base materials has been developed, the method of prognosing of the materials technological properties has been developed. Offered has been the method of the "dynamic" vulcanization, with the aid of which the base materials have been received, and it allows to reduce the time of the vulcanization by 5 times and to reduce the electric power consumption. The recipes of the cast compositions, posessing the improved values of the operating and consumer properties, the modes and the parameters of the processing of the base materials, the multiple use of the obtained alloys have been offered. The base polymer materials of the new type for casting under pressure have been introduced in practiceAvailable from VNTIC / VNTIC - Scientific & Technical Information Centre of RussiaSIGLERURussian Federatio