Search Results (16)

Polyethylene (PE) is a widely used material for packaging food. However, certain additives and their degradation products, which may be generated during transformation processes, may pose risks to consumers health if they migrate into food at levels exceeding safety thresholds. Therefore, identifying and quantifying these potential migrant compounds is crucial to ensuring consumer safety. In the present work, PE films and the raw materials used in their production were kindly provided by the industry to evaluate undesired compounds throughout the PE transformation chain. For that purpose, volatile and semi-volatile organic compounds were evaluated using gas chromatography coupled to mass spectrometry (GC-MS). Alkanes were identified as the most abundant compounds, along with antioxidants, lubricants, or Non-Intentionally Added Substances (NIAS), like 7,9-di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione in the films. For the unidentified compounds, evaluations were conducted at various stages of the transformation chain, and migration assays were performed to assess their behavior. Full article

The automotive sector is demanding higher specifications to achieve maximum efficiency; in this sense a new generation of lubricants with higher thermo-oxidative stability and superior tribological properties is being explored. The formulation of nanolubricants based on the nature of different nanomaterials is one of the most recent approaches, with several gaps to cover, such as dispersion stability, related to the compatibility of proposed nanomaterials with conventional additives and baseoils used in lubricant formulation. This study evaluated the effect of ZnO nanomaterial dispersed in a commercial engine oil using two different approaches; the use of surfactant and nanomaterial surface functionalization to promote higher stability and lower cluster size. Experimental evidence shows a synergetic effect between the tribological protection mechanism and the antioxidant properties in the lubricant. The effect of nanoparticle cluster size, functionalization level, and nanomaterial content are presented. Full article

Digital rock physics (DRP) has undergone significant advancements in the use of various imaging techniques to acquire three-dimensional volumes and images of rock samples for the computation of petrophysical properties. This study focuses on developing a DRP workflow using high-resolution thin section scans for computing porosity and permeability in cuttings samples. The workflow was tested on quarry sandstone plug samples and artificially generated pseudo-cuttings before applying it to real cuttings from oil and gas wells. The results show that the porosity and permeability values obtained through the DRP workflow are statistically equivalent to those obtained through conventional routine core analysis (RCAL). The workflow was also able to handle the presence of various lithologies in real cuttings samples. The study demonstrates the feasibility of obtaining porosity and permeability values in cutting samples using the DRP approach, offering a fast and cost-effective methodology that provides additional data and allows linking petrophysical properties to image data from the cuttings. Full article

Peptides with antifungal activity have gained significant attention due to their potential therapeutic applications. In this study, we explore the use of pretrained protein models as feature extractors to develop predictive models for antifungal peptide activity. Various machine learning classifiers were trained and evaluated. Our AFP predictor achieved comparable performance to current state-of-the-art methods. Overall, our study demonstrates the effectiveness of pretrained models for peptide analysis and provides a valuable tool for predicting antifungal peptide activity and potentially other peptide properties. Full article

Artificial intelligence (AI) is an emerging technology that is revolutionizing the discovery of new materials. One key application of AI is virtual screening of chemical libraries, which enables the accelerated discovery of materials with desired properties. In this study, we developed computational models to predict the dispersancy efficiency of oil and lubricant additives, a critical property in their design that can be estimated through a quantity named blotter spot. We propose a comprehensive approach that combines machine learning techniques with visual analytics strategies in an interactive tool that supports domain experts’ decision-making. We evaluated the proposed models quantitatively and illustrated their benefits through a case study. Specifically, we analyzed a series of virtual polyisobutylene succinimide (PIBSI) molecules derived from a known reference substrate. Our best-performing probabilistic model was Bayesian Additive Regression Trees (BART), which achieved a mean absolute error of $5.50\pm 0.34$ and a root mean square error of $7.56\pm 0.47$, as estimated through 5-fold cross-validation. To facilitate future research, we have made the dataset, including the potential dispersants used for modeling, publicly available. Our approach can help accelerate the discovery of new oil and lubricant additives, and our interactive tool can aid domain experts in making informed decisions based on blotter spot and other key properties. Full article

Host-defense peptides (HDP) are emerging as promising phytosanitaries due to their potency, low plant, animal and environmental toxicity, and above all, low induction of antimicrobial resistance. These natural compounds, which have been used by animals and plants over millions of years to defend themselves against pathogens, are being discovered by genome mining, and then produced using biofactories. Moreover, truncated or otherwise modified peptides, including ultra-short ones, have been developed to improve their bioactivities and biodistribution, and also to reduce production costs. The synergistic combination of HDP and other antimicrobials, and the development of hybrid molecules have also given promising results. Finally, although their low induction of antimicrobial resistance is a big advantage, cautionary measures for the sustainable use of HDPs, such as the use of precision agriculture tools, were discussed. Full article

Plastic waste generation has become an important problem that critically affects marine and oceans environments. Fishing nets gear usually have a relatively short lifespan, and are abandoned, discarded and lost, what makes them one of the largest generators of ocean plastic waste. Recycled polyolefin resins from fishing nets (rFN), especially from polyethylene (PE), have poor properties due to the presence of contaminants and/or excessive degradation after its lifetime. These reasons limit the use of these recycled resins. This work aims to study the incorporation of recycled fishing nets PE-made to different grades of virgin PE, in order to evaluate the potential use of these rFN in the development of new products. The recovered fishing nets have been fully characterized to evaluate its properties after the collection and recycling process. Then, different PE virgin resins have been mechanically blended with the recovered fishing nets at different recycling contents to study its feasibility for fishing nets or packaging applications. Critical mechanical properties for these applications, as the elongation at break, impact strength or environmental stress cracking resistance have been deeply evaluated. Results show important limitations for the manufacture of fibers from recycled PE fishing nets due to the presence of inorganic particles from the marine environment, which restricts the use of rFN for its original application. However, it is proved that a proper selection of PE raw resins, to be used in the blending process, allows other possible applications, such as non-food contact bottles, which open up new ways for using the fishing nets recyclates, in line with the objectives pursued by the Circular Economy of Plastics. Full article

Tamoxifen is the most widely used selective modulator of estrogen receptors (SERM) and the first strategy as coadjuvant therapy for the treatment of estrogen-receptor (ER) positive breast cancer worldwide. In spite of such success, tamoxifen is not devoid of undesirable effects, the most life-threatening reported so far affecting uterine tissues. Indeed, tamoxifen treatment is discouraged in women under risk of uterine cancers. Recent molecular design efforts have endeavoured the development of tamoxifen derivatives with antiestrogen properties but lacking agonistic uterine tropism. One of this is FLTX2, formed by the covalent binding of tamoxifen as ER binding core, 7-nitrobenzofurazan (NBD) as the florescent dye, and Rose Bengal (RB) as source for reactive oxygen species. Our analyses demonstrate (1) FLTX2 is endowed with similar antiestrogen potency as tamoxifen and its predecessor FLTX1, (2) shows a strong absorption in the blue spectral range, associated to the NBD moiety, which efficiently transfers the excitation energy to RB through intramolecular FRET mechanism, (3) generates superoxide anions in a concentration- and irradiation time-dependent process, and (4) Induces concentration- and time-dependent MCF7 apoptotic cell death. These properties make FLTX2 a very promising candidate to lead a novel generation of SERMs with the endogenous capacity to promote breast tumour cell death in situ by photosensitization. Full article

Saponins or their aglycone form, sapogenin, have recently gained interest as bioactive agents due to their biological activities, their antitumoral effects being among them. Metabolic reprogramming has been recognized as a hallmark of cancer and, together with the increased aerobic glycolysis and glutaminolysis, the altered lipid metabolism is considered crucial to support cancer initiation and progression. The purpose of this study was to assess and compare the inhibitory effects on colorectal cancer cell lines of saponin-rich extracts from fenugreek and quinoa (FE and QE, respectively) and their hydrolyzed extracts as sapogenin-rich extracts (HFE and HQE, respectively). By mean of the latest technology in the analysis of cell bioenergetics, we demonstrate that FE and HFE diminished mitochondrial oxidative phosphorylation and aerobic glycolysis; meanwhile, quinoa extracts did not show relevant activities. Distinct molecular mechanisms were identified for fenugreek: FE inhibited the expression of TYMS1 and TK1, synergizing with the chemotherapeutic drug 5-fluorouracil (5-FU); meanwhile, HFE inhibited lipid metabolism targets, leading to diminished intracellular lipid content. The relevance of considering the coexisting compounds of the extracts or their hydrolysis transformation as innovative strategies to augment the therapeutic potential of the extracts, and the specific subgroup of patients where each extract would be more beneficial, are discussed in the frame of precision nutrition. Full article

This article shows the geometric modeling and virtual reconstruction of the optical telegraph by Agustín de Betancourt and Abraham Louis Breguet developed at the end of the 18th century. Autodesk Inventor Professional software has been used to obtain the three-dimensional (3D) model of this historical invention and its geometric documentation. The material for the research is available on the website of the Betancourt Project of the Canary Orotava Foundation for the History of Science. Thanks to the three-dimensional modeling performed, it has been possible to explain in detail both its operation and the assembly system of this invention in a coherent way. After carrying out its 3D modeling and functional analysis, it was discovered that the transmissions in the telegraph were not performed by hemp ropes but rather by metal chains with flat links, considerably reducing possible error. Similarly, it has also been found that the use of the gimbal joint facilitated the adaptability of the invention to geographical areas where there was a physical impediment to the alignment of telegraph stations. In addition, it was not now necessary for the telescope frames to be located parallel to the mast frame (frame of the indicator arrow) and therefore they could work in different planes. Full article

This article shows the geometric modeling and virtual reconstruction of the inclined plane of Coalbrookdale (Shropshire, England) that was in operation from 1792 to 1894. This historical invention, work of the Englishman William Reynolds, allowed the transportation of boats through channels located at different levels. Autodesk Inventor Professional software has been used to obtain the 3D CAD model of this historical invention and its geometric documentation. The material for the research is available on the website of the Betancourt Project of the Canary Orotava Foundation for the History of Science. Also, because the single sheet does not have a scale, it has been necessary to adopt a graphic scale so that the dimensions of the different elements are coherent. Furthermore, it has been necessary to establish some dimensional, geometric, and movement restrictions (degrees of freedom) so that the set will work properly. One of the main conclusions is that William Reynolds designed a mechanism seeking a longitudinal symmetry so that, from a single continuous movement, the mechanism allows two vessels to ascend and descend simultaneously. This engineering solution facilitated a doubling of the working capacity of the device, as well as a reduction of the energy needs of the system. Full article

This article analyses the double-acting steam engine designed by Agustín de Betancourt in 1789 and based on the steam engine of James Watt. Its novelty and scientific interest lies in the fact that from the point of view of industrial archaeology and the study of technical historical heritage there is no worldwide study on this invention, which marked a historic milestone in the design of the steam engines of the Industrial Revolution (1760–1840). This underscores the utility and originality of this research. To this end, a study of computer-aided engineering (CAE) was carried out using the parametric software Autodesk Inventor Professional, consisting of a static analysis using the finite-element method of the 3D CAD model of the invention under real operating conditions. The results have shown that the double-acting steam engine was correctly designed considering that the values of the maximum von Mises stress (188.4 MPa) obtained were taken away from the elastic limit of the material it was made of (cast iron), as well as to the maximum deformations (0.14% with respect to its length) obtained in the same element that presents the maximum stress (opening axle of the high pressure steam valve). Similarly, the maximum displacements (18.74 mm) are located in the mobile counterweights that transmit certain inertia to facilitate the opening and closing of the valves. Finally, if we look at the results of the safety coefficient, whose lowest value was 4.02, we could say that the invention was oversized, following constructive criteria of the time, as there were no resistance tests on materials that would help in the optimization of the design of the invention. Full article

In this paper, the geometric modeling and virtual reconstruction of the double-acting steam engine designed by Agustín de Betancourt in 1789 are shown. For this, the software Autodesk Inventor Professional is used, which has allowed us to obtain its geometric documentation. The material for the research is available on the website of the Betancourt Project of the Canary Orotava Foundation for the History of Science. Almost all parts of the steam engine are drawn on the sheets, but due to the absence of scale and space, it is insufficient to obtain an accurate and reliable 3D CAD (Computer-Aided Design) model. For this reason a graphic scale has been adopted so that the dimensions of the elements are coherent. Also, it has been necessary to make some dimensional and geometric hypotheses, as well as restrictions of movement (degrees of freedom). Geometric modeling has made it possible to know that the system is balanced with the geometric center of the rocker arm shaft, and presents an energetic symmetry whose axis is the support of the parallelogram where the shaft rests: calorific energy to the left and mechanical energy to the right, with the rocker arm acting as a transforming element from one to the other. Full article

This article analyzes the first self-propelled floating dredging machine designed and executed by Agustín de Betancourt in 1810 to dredge the port of Kronstadt (Russia). With this objective, a study of computer-aided engineering (CAE) has been carried out using the parametric software Autodesk Inventor Professional, consisting of a static analysis using the finite element method, of the 3D model which is reliable under operating conditions. The results have shown that the system of inertia drums proposed by Betancourt manages to dissipate the tensions between the different elements, locating the highest stresses in the links of the bucket rosary, specifically at the point of contact between links. Similarly, the maximum displacements and the greatest deformations (always associated with these points of greater stress), are far from reaching the limits of breakage of the material used in its construction, as well as the safety coefficient of the invention, confirming that the mechanism was oversized, as was generally the case at the time. This analysis highlights the talent of the Spanish engineer and his mastery of mechanics, in an invention, the first of its kind worldwide, which served the Russian Empire for many years. Full article

This article presents the steps followed to obtain a three-dimensional model of one of the most recognized historical inventions of Agustín de Betancourt y Molina from the scant documentation found about it. Specifically, this was a machine for cutting cane and other aquatic plants in navigable waterways, presented in London in 1795. The study is based on computer-aided design (CAD) techniques using Autodesk Inventor Professional, from the information provided by the only two sheets that exist from the machine, one with specifications in English and the other in French, both very similar. In order to obtain a functional result on which to carry out further studies, it has been necessary to make some geometrical hypotheses on the models, aimed to find the correct dimension of each element. In addition, it has also been necessary to define the relationship of each element with those that set up its environment, defining movement restrictions, so that the final model, behaves as real as possible. Full article