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Bread fermentation monitoring through NIR spectroscopy and PLS-DA. Determining the optimal fermentation point in bread doughs
Get PDFDough fermentation is a fundamental step in bread manufacturing, commonly supervised by bakery experts. This work aims to develop an efficient technology based on near infrared spectroscopy (NIR) and partial least squares-discriminant analysis (PLS-DA) to determine the fermentation state of bread loaves in the bakery industry. Knowing the fermentation state of the loaves during the manufacturing will allow to act in the production line, avoiding introducing an inadequate loaf in the oven and reducing costs. For that, a new methodology is proposed that consists in reproducing the knowledge of a Master Baker through a NIR spectrometer. Regarding the sequentiality of the objects and the real applicability of the method, three different cases were proposed using PLS-DA, getting that, in the best case, the sensitivity of the prediction set for the unfermented doughs was 88% and for the fermented and over-fermented was 86%; whereas the specificities were all greater than 86%.The authors thank IPASA-Sanbrandan (INDUSTRIALES PANADEROS AGRUPADOS S.A.) for allowing the measurements in their facilities and the entities for financial support
The Dunkl oscillator on a space of nonconstant curvature: An exactly solvable quantum model with reflections
No full textWe introduce the Dunkl–Darboux III oscillator Hamiltonian in N dimensions as a
deformation of the Dunkl oscillator. This deformation is interpreted as the introduction of a non-constant curvature on the underlying space or, equivalently, as a quadratic position-dependent mass for the Dunkl oscillator. This new ND quantum model is shown to be exactly solvable, and its eigenvalues and eigenfunctions are explicitly presented. It is shown that in the 2D case both Darboux III and Dunkl oscillators can be coupled with a constant magnetic field, thus giving rise to two new quantum integrable systems in which the effect of the
deformation and of the Dunkl derivatives on the Landau levels can be studied. Finally, the full 2D Dunkl–Darboux III oscillator is coupled with the magnetic field and shown to define an exactly solvable Hamiltonian, where the interplay between the
deformation and the magnetic field is explicitly illustrated.The authors thank the referees for thoroughly reading our manuscript and for constructive suggestions that improved the original version of this paper. A. B. has been partially supported by Agencia Estatal de Investigación (Spain) under grant PID2019-106802GB-I00/AEI/10.13039/501100011033, by the Q-CAYLE Project funded by the Regional Government of Castilla y León (Junta de Castilla y León), Spain and by the Ministry of Science and Innovation MICIN, Spain through the European Union funds NextGenerationEU (PRTR C17.I1). SH. D. acknowledges support from grant 20220355-SIP-IPN, Mexico. SH. D. started this work on sabbatical leave from IPN, Mexico. A. N. would like to thank the members of the Mathematical Physics Research Group of the University of Burgos for their kind assistance and hospitality
Vibration-based monitoring of agro-industrial machinery using a k-Nearest Neighbors (kNN) classifier with a Harmony Search (HS) frequency selector algorithm
Get PDFMonitoring the status of rotating components is important in modern machinery. The goal of this study is to evaluate the feasibility of using a k-Nearest Neighbors (kNN) classifier combined with a Harmony Search (HS) algorithm, to detect the operational status of rotating components within agricultural machines. Vibration data, the source data, were acquired from four accelerometers located along the chassis of a harvester. Five operational statuses of three rotating components of the harvester were studied: engine (low/maximum speed), thresher, and chopper (on/off and balanced/unbalanced). The methodology includes vibration signal acquisition, data preprocessing, smoothing, preselection of frequencies, Brute Force (BF) and Harmony Search frequency selection, and classification with kNN. The input frequencies for the classifier were chosen with either BF search or HS. The main results of the study were: i) the preselection of frequencies reduced the training time between 92.2% and 95.6%; ii) the smoothing stage improved accuracy; iii) HS reduced the training time between 82% and 90% in comparison with BF, reaching accuracies of nearly 100% in the five operational statuses with only 2 input frequencies; iv) similar levels of accuracy were obtained when using data from the accelerometers at different locations. The results suggested that it was feasible to predict the operational status of rotating components of agricultural machines using a kNN classifier with the combination of preselection, smoothing, and the HS algorithm. This feasibility was achieved both in terms of accuracy and computational burden, building upon previously proposed methods
Manual for the development of self-Regulated Virtual Laboratories
Get PDFEsta obra incluye materiales dirigidos a la formación de egresados y a la actualización de profesionales en ejercicio en el marco de la intervención temprana. También, integra a nuevos profesionales de la ingeniería biomédica. Dicha obra, contiene información sobre el diseño e implementación de laboratorios virtuales autorregulados aplicados a la resolución de casos prácticos en intervención temprana. En ellos, se incluye el uso de: chatbots, tecnología eye tracking multicanal integrada y técnicas de minería de datos.This work includes materials aimed at training graduates and updating practising professionals in the framework of early intervention. It also integrates new biomedical engineering professionals. It contains information on the design and implementation of self-regulated virtual laboratories applied to the resolution of practical cases in early intervention. Also, it includes the use of chatbots, integrated multichannel eye tracking technology and data mining techniques.Este trabajo se ha desarrollado en el marco del proyecto co-financiado por la Unión Europea eEarlyCare-T nº 2021-1-ES01-KA220-SCH-000032661.This work has been developed in the framework of the EU co-funded project eEarlyCare-T no. 2021-1-ES01-KA220-SCH-000032661
Comparative toxicological analysis of two pristine carbon nanomaterials (graphene oxide and aminated graphene oxide) and their corresponding degraded forms using human in vitro models
Get PDFDespite the wide application of graphene-based materials, the information of the toxicity associated to some specific derivatives such as aminated graphene oxide is scarce. Likewise, most of these studies analyse the pristine materials, while the available data regarding the harmful effects of degraded forms is very limited. In this work, the toxicity of graphene oxide (GO), aminated graphene oxide (GO-NH2), and their respective degraded forms (dGO and dGO-NH2) obtained after being submitted to high-intensity sonication was evaluated applying in vitro assays in different models of human exposure. Viability and ROS assays were performed on A549 and HT29 cells, while their skin irritation potential was tested on a reconstructed human epidermis model. The obtained results showed that GO-NH2 and dGO-NH2 substantially decrease cell viability in the lung and gastrointestinal models, being this reduction slightly higher in the cells exposed to the degraded forms. In contrast, this parameter was not affected by GO and dGO which, conversely, showed the ability to induce higher levels of ROS than the pristine and degraded aminated forms. Furthermore, none of the materials is skin irritant. Altogether, these results provide new insights about the potential harmful effects of the selected graphene-based nanomaterials in comparison with their degraded counterparts.This work was supported by the Junta de Castilla y Leon-FEDER grant Nº BU058P20 (NANOCOMP), and by the European Union’s H2020 research and innovation programme, under the grant agreement No 953152 (DIAGONAL). The scholarship of Matteo Poddighe received financial support within the activities of the PhD program in Chemical and Technological Sciences. We thank Graphenea for kindly providing us with the pristine GO and GO-NH2 nanomaterials
Macrophyte assisted phytoremediation and toxicological profiling of metal(loid)s polluted water is influenced by hydraulic retention time
Get PDFThe present study reports findings related to the treatment of polluted groundwater using macrophyte-assisted phytoremediation. The potential of three macrophyte species (Phragmites australis, Scirpus holoschoenus, and Typha angustifolia) to tolerate exposure to multi-metal(loid) polluted groundwater was first evaluated in mesocosms for 7- and 14-day batch testing. In the 7-day batch test, the polluted water was completely replaced and renewed after 7 days, while for 14 days exposure, the same polluted water, added in the first week, was maintained. The initial biochemical screening results of macrophytes indicated that the selected plants were more tolerant to the provided conditions with 14 days of exposure. Based on these findings, the plants were exposed to HRT regimes of 15 and 30 days. The results showed that P. australis and S. holoschoenus performed better than T. angustifolia, in terms of metal(loid) accumulation and removal, biomass production, and toxicity reduction. In addition, the translocation and compartmentalization of metal(loid)s were dose-dependent. At the 30-day loading rate (higher HRT), below-ground phytostabilization was greater than phytoaccumulation, whereas at the 15-day loading rate (lower HRT), below- and above-ground phytoaccumulation was the dominant metal(loid) removal mechanism. However, higher levels of toxicity were noted in the water at the 15-day loading rate. Overall, this study provides valuable insights for macrophyte-assisted phytoremediation of polluted (ground)water streams that can help to improve the design and implementation of phytoremediation systems.Open Access funding provided thanks to the CRUE-CSIC agreement with Springer Nature. This work is funded by the GREENER project of the European Union’s Horizon 2020 Research and Innovation Program (Grant Agreement No. 826312). S. Curiel and A. Soto were funded by Junta de Castilla y León (ORDEN EDU/1508/2020, de 15 de diciembre and ORDEN EDU/842/2022 de 6 de julio)
DUBU-Polymers Research Group 21082024
No full textThe dataset contains all raw data of the work "Boosting m-aramids performance with p-oriented aromatic amide side chains"This work was supported by the Regional Government of Castilla y León (Junta de Castilla y León), the Ministry of Science and Innovation MICIN and the European Union NextGenerationEU/PRTR, and the Spanish Agencia Estatal de Investigación (State Research Agency). Author M. Trigo-López received grant PID2019-108583RJ-I00 funded by MCIN/AEI/ 10.13039/501100011033. Álvaro Miguel received funding from Ministerio de Universidades-European Union in the frame of NextGenerationEU RD 289/2021 (CA1/RSUE/2021-00409) by the Universidad Autónoma de Madrid
Nuevas estrategias para la síntesis de heterociclos nitrogenados complejos basadas en reacciones multicomponente tipo Ugi
No full textMuchos compuestos heterocíclicos nitrogenados son considerados estructuras
privilegiadas al tratarse de sistemas con una actividad biológica muy diferente en función
de su sustitución, siendo por ello sistemas con un gran interés para la industria
farmacéutica. Esto explica el hecho de que, en los últimos años, el desarrollo de
metodologías sintéticas eficientes para su obtención haya constituido un objetivo
fundamental en la investigación química, siendo las reacciones multicomponente basadas
en isonitrilos (IMCRs) una de las herramientas con mayor potencial. Así, la reacción de Ugi
permite la obtención de sistemas pseudopeptídicos en una primera etapa, estos aductos si
están debidamente funcionalizados permiten obtener de forma sencilla compuestos
heterocíclicos complejos en etapas de post-condensación.
En este trabajo se ha estudiado el potencial de la secuencia Ugi/sustitución nucleófila
para la síntesis de compuestos heterocíclicos nitrogenados de distinta naturaleza como
pirrolopiperazinas, pirrolomorfolinas o pirroloquinazolinas. Para ello se han utilizado como
reactivos de partida, junto a arilglioxales, diferentes ácidos carboxílicos halogenados y
aminas con posiciones nucleófilas (alcoholes) o electrófilas (ésteres o halogenuros) en su
cadena lateral. Además, se ha estudiado el resultado estereoquímico de estas reacciones,
llegándose en algunos casos a compuestos enantioméricamente puros al utilizar reactivos
de partida con información quiral.Nitrogen heterocyclic compounds are extremely important in the pharmaceutical industry due to their diverse biological activity. The development of simple and efficient methodologies for their synthesis is a constant challenge in organic chemistry. The Ugi reaction represents an efficient methodology for the synthesis of this type of compounds, mainly because it allows the generation of pseudopeptidic systems in a single step and with high atom economy. Moreover, isocyanide, the fundamental reagent in the Ugi reaction, is compatible with different functional groups, enabling the use of functionalised starting reagents. Ugi adducts with functionalised substituents are likely to undergo postcondensation reactions, significantly increasing the synthetic potential of the Ugi reaction. Arylglyoxal is used in all Ugi and Passerini reactions throughout this work, due to its capability to form β-ketoamides in a single step. This substructure is key in almost all the reaction steps investigated, as it can act as a nucleophile from (1) the peptidyl position; (2) the oxygen of the carbonyl group, allowing the formation of ketals and rearrangement products or (3) the nitrogen of the amide. Additionally, it can be easily removed by a debenzoylation reaction. In the first chapter, a novel methodology for the synthesis of enantiomerically pure pyrrolopiperazine-2,6-diones (and pyrrolopiperazines) is described. A one-pot Ugi/nucleophilic substitution/N-acylation/debenzoylation sequence is carried out, using 3bromopropionic acid, phenylglyoxal and α-amino esters as double functionalised reagents. The incorporation of chiral information in the structure of α-amino esters allows the synthesis of these compounds with complete diastereoselectivity
Transformation of the polysaccharide fraction of corn stove into organic acids catalysed by Lewis acid catalyst in a subcritical water reaction medium
No full textPóster presentado en: EIFS2024, 3er Encuentro Ibérico de Fluidos Supercríticos = Third Iberian Meeting on Supercritical Fluids = 3º Encontro Ibérico de Fluidos Supercríticos, 22-24 de julio, Ourense, Spain.The transition from today’s fossil-based economy towards a more sustainable economy lays in the transformation of biomass resources into high-value-added chemicals. The potential of the polysaccharide fraction of the biomass to produce different chemical building blocks has been highligthted by the US Department of Energy. Among these building blocks, organic acids present a huge potential since they can be converted into a great variety of chemical compounds. The hydrolysis of the polysaccharide fraction of biomass, followed by sugar degradation, can result in the formation of different organic acids. Among them, in this study, production selectivity towards levulinic and lactic acid has been explored by using a mixture of Lewis acid catalysts. The chemical route for levulinic acid production is well known and it consists on the dehydration of glucose to HMF and further rehydration to produce levulinic and formic acids: On the contrary, conversion of cellulose into lactic involves mainly a reto-aldol condensation reaction pathway: In this work, a combination of Al3+ and Sn2+ chloride salts were explored to convert the polysaccharide fraction of corn stover in water under subcritical conditions as reaction medium. Two different temperatures were tried, 190 ºC and 220 ºC at a catalyst concentration of 20 % of equiweight fraction of both salts considering the glucan fraction of corn stover. Organic acid yields were evalauted in different ways. Lactic acid yield was evaluated considering the polysaccharide fraction of corn stover (cellulose + hemicellulose), but levulinic acid yield was determined considering only the celullose fraction. Previous studies with pure sugar monomers, glucose and xylose, showed that the xylose Al3+/Sn2+ catalyzed-system yielded lactic acid but no levulinic acid. On the contray, in case of glucose, both organic acids could be produced according to the above routes. These results encourage the use of corn stover as a source of valuable chemicals such as organic acids. Further studies should be performed for a deeper analysis in terms of the selectivity of the process.This work was supported by the Agencia Estatal de Investigación (AEI), Ministerio de Ciencia e Innovación (MICINN) and Next Generation UE [grant numbers PID2022136385OB-I00, PID2020-116716RJ-I00, TED2021-129311B-I00 and PDC2022-133443-I00] and the Junta de Castilla y León (JCyL) and the European Regional Development Fund (ERDF) [grant number BU027P23]. P. Barea predoctoral contract was funded by JCyL and the European Social Fund (ESF) by ORDEN EDU/1868/2022, de 19 de diciembre. H. Candela contract was funded by TED2021-129311BI00