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Li6ZnO4 was chemically modified by nickel addition, in order to develop different compositions of the solid solution Li6Zn1-xNixO4. These materials were evaluated bifunctionally; analyzing their CO2 capture performances, as well as on their catalytic properties for H2 production via dry reforming of methane (DRM). The crystal structures of Li6Zn1-xNixO4 solid solution samples were determined through X-ray diffraction, which confirmed the integration of nickel ions up to a concentration around 20 mol%, meanwhile beyond this value, a secondary phase was detected. These results were supported by XPS and TEM analyses. Then, dynamic and isothermal thermogravimetric analyses of CO2 capture revealed that Li6Zn1-xNixO4 solid solution samples exhibited good CO2 chemisorption efficiencies, similarly to the pristine Li6ZnO4 chemisorption trends observed. Moreover, a kinetic analysis of CO2 isothermal chemisorptions, using the Avrami-Erofeev model, evidenced an increment of the constant rates as a function of the Ni content. Since Ni2+ ions incorporation did not reduce the CO2 capture efficiency and kinetics, the catalytic properties of these materials were evaluated in the DRM process. Results demonstrated that nickel ions favored hydrogen (H2) production over the pristine Li6ZnO4 phase, despite a second H2 production reaction was determined, methane decomposition. Thereby, Li6Zn1-xNixO4 ceramics can be employed as bifunctional materials.

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ABSTRACT Introduction: Bovine cattle raising is the most important line of the economy of Caquetá department and El Doncello municipality, according to the figures given by the Departmental Committee of Cattlemen there is a herd of2,175,065 cattle heads in the region, many of the rural families depend on said economic activity to generate their income; To do this, the life analysis methodology examines the assets that communities have which are called community capital, and the approach they use to meet their fundamental human needs. Objective: To assess sustainable means and the application of community capital in cattle rancher families in the municipality of El Doncello, Caquetá (Colombia). Materials and methods: For the collection of information the producer families of the municipality of El Doncello were assessed; based on the sources of the Departmental Committee of Cattlemen, for this purposefamilies were surveyed and participatory workshops were carried out using the livelihood methodology framing the community capitals (human, natural, financial, physical and social) using 36 variables for the assessment of them, and the fundamental human needs (basic of the person, the environment and of action) that grouped 15 analysis variables; Subsequently, the interpretation and analysis of the data was made through aprincipal component analysis-PCA relating the typologies and each of the variables assessed in this study; all the data were run in the InfoStat Program. Results: It was found that 939 families base their economy on livestock production in the municipality of El Doncello, the human capital of these families was distributed in 72 men representing 15.55 %, 81 women (17.49 %), 143 boys (30.89 %)and 167 girls (36.07%), finding three types of families: Typology 1: families with <50 bovines on theirfarms; Typology 2: between 51 and 100 bovines, and Typology 3: >101 bovines, where financial capital is the one that represents the greatest contribution given its characteristics of income generation and well-beingfor families. The principal component analysis-ACP carried out for social capital divided according to the first principal component-PC1 with a contribution of 62.3 % to Family Typology 1 (families with <50 head of cattle) to the positive end of said component strongly associated with the variables greater participation in projects and organizations to which they belong, with the particularity of having a greater number of members at home; from Typology 3 to the negative end of said component associated with the variables greater number of shared spaces in which they participate and greater level of family participation. In the same way, for natural capital, a separation was observed between Family Typology 1, associated with the variables greater number of water sources, mainly due to the fact that a large part of these producers were in the mountain range zone, greater area in stubble, greater number of spaces used and more activities for consumption, such as plantations of plantain, cocoa, cassava and other subsistence crops and Family Typology 2 strongly associated with the variables greater number of trees in pastures and greater percentage of natural products. One of the most important capitals within the producers is the financial one, for which the following was observed: the first principal component-PC1, with a contribution of 43.7%, separates Typology 1 from the positive end of said component associated with the variable income from daily wages and income from subsidies, these families are the ones that generate the least amount of assets and through which they diversify their income that are not only dependent on livestockproduction as such, but also on other types of economic activities, of the Typology 2 to the negative extreme associated with the variables income from transfers, credits, income from formal employment and income from the sale ofprocessed products, such as cheese. The second main component-PC2, with a contribution of 24.4 %, groups Family Typology 3 strongly associated with the highest income from the sale of space-use products, These families, by owning a greater number of cattle heads, base a large part of their economy in said activity, but they diversify it with other types of income such as rubber crops, cocoa, pineapple, plantain, cassava, among others. Finally, the fundamental human needs-FHN can be defined as very similar for the three types of families studied, with slight adjustments in the basic needs for Typology 1, where food, health, shelter and security are classified as bad and regular. Although the situation does not vary much for Typology 2, but it does look better for Typology 3 in which satisfaction is good, except for security, everyone has the same perception, this is mainly due to the presence of certain illegal armed groups in the region. Regarding the needs of the person, the environment and action, there are no variations between the different types. Conclusions: Finally, it was possible to observe a high cultural tie that cattle ranchers have for this economic activity that is evidenced in human capital, where we see the number of people who directly depend on livestock and its derivatives. Also, in terms of financial capital, it can be observed that there is a great diversification of the income of families that not only depend on livestock, but also on income from formal employment, daily wages, loans and sales of other crops such as plantain, cassava, rubber and cocoa; In terms of social and natural capital, a good sustainable appropriation of environmental care and the participation of rural communities are observed. Finally, a low contribution to the fundamental human needs of the producing communities is denoted, this mainly due to the social and economic conditions of the region; In this sense, this study has repercussions as a first diagnosis in the management of the livelihoods of rural cattle-raising communities in the department of Caquetá.

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Background: Neonicotinoid insecticides are used worldwide for crop protection. They act as agonists at postsynaptic nicotinic acetylcholine receptors (nAChRs), disrupting normal neurotransmission in target insects. Human exposure is high due to the widespread use of neonicotinoids and their residues in food. This study aimed to evaluate the in vitro neurotoxicity of three neonicotinoid commercial formulations Much 600 FS® (imidacloprid 600 g L-1), Evidence 700 WG® (imidacloprid 700 g kg-1), and Actara 250 WG® (thiamethoxam 250 g kg-1) in differentiated human neuroblastoma SH-SY5Y cell line. Methods: Cells were incubated with the pesticides for 96 h, and the cytotoxicity was evaluated through the 3-(4,5-dimethyl-2-thiazolyl)-2,5-diphenyl-2H-tetrazolium·bromide (MTT) reduction and neutral red (NR) uptake assays. Toxicological pathways such as reactive oxygen (ROS) and nitrogen species (RNS) production, mitochondrial membrane potential, cell death mode, and the expression of the pro-apoptotic protein Bax were also evaluated. Results: EC50 values of 266.4, 4,175, and 653.2 mg L-1 were found for Much®, Evidence® and Actara®, respectively. Significant increases in ROS and RNS generation were observed for all pesticides, while mitochondrial membrane potential and Bax protein expression showed no significant changes. Analysis of cell death mode revealed an increase in early apoptotic cells. Conclusion: Therefore, neonicotinoid insecticides are potentially neurotoxic, reinforcing concerns about human exposure to these commercial formulations.

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This research evaluates the application of advanced machine learning algorithms, specifically Random Forest and Gradient Boosting, for the imputation of missing data in solar energy generation databases and their impact on the size of green hydrogen production systems. The study demonstrates that the Random Forest model notably excels in harnessing solar data to optimize hydrogen production, achieving superior prediction accuracy with mean absolute error (MAE) of 0.0364, mean squared error (MSE) of 0.0097, root mean squared error (RMSE) of 0.0985, and a coefficient of determination (R2) of 0.9779. These metrics surpass those obtained from baseline models including linear regression and recurrent neural networks, highlighting the potential of accurate imputation to significantly enhance the efficiency and output of renewable energy systems. The findings advocate for the integration of robust data imputation methods in the design and operation of photovoltaic systems, contributing to the reliability and sustainability of energy resource management. Furthermore, this research makes significant contributions by showcasing the comparative performance of traditional machine learning models in handling data gaps, emphasizing the practical implications of data imputation on optimizing hydrogen production systems. By providing a detailed analysis and validation of the imputation models, this work offers valuable insights for future advancements in renewable energy technology.

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In this work, zinc oxide with different morphologies and textural properties were prepared and sensitized with metalloporphyrins (MPs) aiming to improve its solar energy harvesting capability for H2 production by water splitting under sunlight (a 300 W Xe/Hg lamp). An anionic iron(III)porphyrin and a cationic manganese(III)porphyrin were immobilized on different ZnO solids predominantly by electrostatic interactions. In general, the prepared MP-free ZnO solid yielded modest catalytic results which had apparently no direct correlation with their textural properties or morphology. On the other hand, when these ZnO solids had iron or manganese porphyrin sensitizing them, their catalytic performances changed and a superior yield towards H2 production was observed in comparison to the pure ZnO solids, making evident the synergy achieved between these two components (ZnO and metalloporphyrins) for the prepared solids. It was also observed that the metalloporphyrins and the respective free-base ligand suffered redox reactions when used as homogenous catalyst in this reaction, which could influence their performances as catalysts. The same was not observed in the solids containing immobilized MP, suggesting some protective effect of the ZnO solids on the MP complexes upon immobilization probably due to interaction of the complexes with the ZnO matrix.

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In vitro produced embryos exhibit lower viability compared to their in vivo counterparts. Mammalian preimplantation embryos have the ability to reach the blastocyst stage in diverse culture media, showcasing considerable metabolic adaptability, which complicates the identification of optimal developmental conditions. Despite embryos successfully progressing to the blastocyst stage, adaptation to suboptimal culture environments may jeopardize blastocyst viability, cryotolerance, and implantation potential. Enhancing our capacity to support preimplantation embryonic development in vitro requires a deeper understanding of fundamental embryo physiology, including preferred metabolic substrates and pathways utilized by high-quality embryos. Armed with this knowledge, it becomes achievable to optimize culture conditions to support normal, in vivo-like embryo physiology, mitigate adaptive stress, and enhance viability. The objective of this review is to summarize the evolution of culture media for bovine embryos, highlighting significant milestones and remaining challenges.

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Gene editing technologies have revolutionized the field of livestock breeding, offering unprecedented opportunities to enhance animal welfare, productivity, and sustainability. This paper provides a comprehensive review of recent innovations and applications of gene editing in livestock, exploring the diverse applications of gene editing in livestock breeding, as well as the regulatory and ethical considerations, and the current challenges and prospects of the technology in the industry. Overall, this review underscores the transformative potential of gene editing in livestock breeding and its pivotal role in shaping the future of agriculture and biomedicine.

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BACKGROUND: Dopaminergic neurons from the substantia nigra pars compacta (SNc) have a higher susceptibility to aging-related degeneration, compared to midbrain dopaminergic cells present in the ventral tegmental area (VTA); the death of dopamine neurons in the SNc results in Parkinson´s disease (PD). In addition to increased loss by aging, dopaminergic neurons from the SNc are more prone to cell death when exposed to genetic or environmental factors, that either interfere with mitochondrial function, or cause an increase of oxidative stress. The oxidation of dopamine is a contributing source of reactive oxygen species (ROS), but this production is not enough to explain the differences in susceptibility to degeneration between SNc and VTA neurons. AIM OF REVIEW: In this review we aim to highlight the intrinsic differences between SNc and VTA dopamine neurons, in terms of gene expression, calcium oscillations, bioenergetics, and ROS responses. Also, to describe the changes in the pentose phosphate pathway and the induction of apoptosis in SNc neurons during aging, as related to the development of PD. KEY SCIENTIFIC CONCEPTS OF REVIEW: Recent work showed that neurons from the SNc possess intrinsic characteristics that result in metabolic differences, related to their intricate morphology, that render them more susceptible to degeneration. In particular, these neurons have an elevated basal energy metabolism, that is required to fulfill the demands of the constant firing of action potentials, but at the same time, is associated to higher ROS production, compared to VTA cells. Finally, we discuss how mutations related to PD affect metabolic pathways, and the related mechanisms, as revealed by metabolomics.

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BACKGROUND: The purpose of scientific production is to synthesize and capture research for eventual publication. In Peru, scientific production at the undergraduate level is relatively limited. The purpose of this study was to identify the factors associated with scientific production conditions among dental students from the Peruvian capital. METHODS: This cross-sectional and analytical study evaluated 338 dental students from the Peruvian capital using a questionnaire composed of 15 questions on conditions for scientific production. Pearson's chi-square test and Fisher's exact test were used for bivariate analysis. To evaluate the influential variables, the adjusted Poisson regression model with robust variance using the adjusted prevalence ratio (APR) was employed. The significance level was p < 0.05. RESULTS: A total of 17.8% of the students carried out research studies, while 1.5% published scientific articles. Conditions for scientific production were considered unfavorable in 28.4% of the cases, while 50.6% were classified as somewhat favorable and 21% as favorable. Students who dedicated < 2 h and ≥ 2 h per week to research were 3.04 and 3.84 times more likely to have favourable conditions for scientific production, respectively, compared to those who had no time for it (APR = 3.04, 95% CI: 1.02-9.03 and APR = 3.84, 95% CI: 1.13-13.02; respectively). CONCLUSION: A minority of dental students reported favorable conditions for scientific production. On the other hand, students with more weekly time for research are more likely to have favourable conditions for scientific production compared to those with no time.

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Very high gravity (VHG) fermentation is an industrial-scale process utilizing a sugar concentration above 250 g/L to attain a significant ethanol concentration, with the advantages of decreased labor, production costs, water usage, bacterial contamination, and energy consumption. Saccharomyces cerevisiae is one of the most extensively employed organisms in ethanol fermentation through VHG technology. Conversely, high glucose exposure leads to numerous stress factors that negatively impact the ethanol production efficiency of this organism. Here, the impact of various phytochemicals added to the VHG medium on viability, glucose consumption, ethanol production efficiency, total antioxidant-oxidant status (TAS and TOS), and the response of the enzymatic antioxidant system of yeast were investigated. 2.0 mM naringenin and caffeic acid increased ethanol production by 2.453 ± 0.198 and 1.261 ± 0.138-fold, respectively. The glucose consumption rate exhibited a direct relationship with ethanol production in the naringenin-supplemented group. The highest TAS was determined as 0.734 ± 0.044 mmol Trolox Eq./L in the same group. Furthermore, both phytochemical compounds exhibited robust positive correlations with TAS (rnaringenin = 0.9986; rcaffeic acid = 0.9553) and TOS levels (rnaringenin = -0.9824; rcaffeic acid = -0.9791). While naringenin caused statistically significant increases in glutathione reductase (GR) and thioredoxin reductase (TrxR) activities, caffeic acid significantly increased TrxR and superoxide dismutase (SOD). Both phytochemicals seem to impact the ethanol production ability by regulating the redox status of the cells. We believe that the incorporation of particularly cost-effective antioxidants into the fermentation medium may serve as an alternative way to enhance the efficiency of bioethanol production using VHG technology.

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The socioeconomic factors influencing small-scale dairy producers in the border area between Ecuador and Colombia were meticulously identified. Employing a non-experimental design, the study leveraged multivariate statistical analysis to discern key determinants. Data processing was executed using the statistical software SPSS v27, facilitating comprehensive analysis. A random survey was administered to 532 small and medium-scale dairy producers in the Carchi province of Ecuador, employing a structured questionnaire supplemented with a Likert scale for nuanced insights. Based on 35 original variables, seven determining factors were identified in dairy farms: political representation, adequate housing, equipment, innovation, empathy, profitability, social welfare, which combined explain 60.95% of the system's variability. Such factors affect production, the level of household income, as well as their effect on the standard of living of households. Three groups were formed, the first with a low perception of economic development (Traditionalists 33.3%); the second with a better expectation of economic development (Modernizers 27.6%); and the third, identified with greater economic development (Innovators 10.3%). Each group presents cases with a low to high standard of living perspective. The groups have peculiarities in terms of their performance that can be applied to the entire population. A significant relation was established between socioeconomic factors and standard of living.

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Soybean is an economically important crop for animal and human nutrition. Currently, there is a lack of information on the effects of Trichoderma harzianum and Purpureocillum lilacinum on INTACTA RR PRO transgenic soybean plants. The present study evaluated the application of T. harzianum and P. lilacinum under field conditions. The results revealed a significant increase in soybean yield at 423 kg ha-1 in response to the application of P. lilacinum compared with the control treatment. In addition, the application of P. lilacinum promoted a significant increase in phosphorus levels in the plant leaves, and there were significant correlations between the increase in taxon abundance for the genus Erwinia and productivity and the average phosphorus and nitrogen content for the plant leaves, for the taxon Bacillus and nitrogen content and productivity, and for the taxon Sphingomonas and nitrogen content. The Bradyrhizobium taxon was identified in the P. lilacinum treatment as a taxon linking two different networks of taxa and is an important taxon in the microbiota. The results show that the application of the fungus P. lilacinum can increase the productivity of soybean INTACTA RR PRO and that this increase in productivity may be a function of the modulation of the microbiota composition of the plant leaves by the P. lilacinum effect.

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The population dynamics of early replicators has revealed numerous puzzles, highlighting the difficulty of transitioning from simple template-directed replicating molecules to complex biological systems. The resolution of these puzzles has set the research agenda on prebiotic evolution since the seminal works of Manfred Eigen in the 1970s. Here, we study the effects of demographic noise on the population dynamics of template-directed (non-enzymatic) and protein-mediated (enzymatic) replicators. We borrow stochastic algorithms from evolutionary game theory to simulate finite populations of two types of replicators. These algorithms recover the replicator equation framework in the infinite population limit. For large but finite populations, we use finite-size scaling to determine the probability of fixation and the mean time to fixation near a threshold that delimits the regions of dominance of each replicator type. Since enzyme-producing replicators cannot evolve in a well-mixed population containing replicators that benefit from the enzyme but do not encode it, we study the evolution of enzyme-producing replicators in a finite population structured in temporarily formed random groups of fixed size n. We argue that this problem is identical to the weak-altruism version of the n-player prisoner's dilemma, and show that the threshold is given by the condition that the reward for altruistic behavior is equal to its cost.

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The aim of this study was to assess the influence of hydrogel and zinc oxide nanoparticles on quinoa germination and establishment. Various doses of a commercial potassium-based hydrogel (0, 5, 7, and 9 g), each dissolved in one liter of rainwater, were applied. Additionally, 1.5 g of zinc oxide nanoparticles (ZnO-NP) and pre-crushed nitrogen fertilizer, at a rate of 1.6 kg/ha, were added to the solution to achieve a homogeneous mixture. Following the application of hydrogel in the 10-linear-meter rows corresponding to each treatment area in every block, 25 seeds per linear meter of the "Blanca de Juli" quinoa cultivar were sown with a 4 cm spacing between the seeds. Subsequently, a thin layer of soil, approximately 0.5 cm thick, was used to cover the seeds. Ten seedlings were randomly selected and labeled for subsequent evaluations. The experimental design employed in this research was a completely randomized block design. The collected data underwent an analysis of variance, and the means of all the treatments were compared using Tukey's test with a 5% probability. Height and diameter evaluations of the plant neck were conducted every 45 days. The doses used in this study (5, 7, and 9 g of hydrogel per liter of water) significantly enhanced seed germination and increased the number of plants per linear meter (from 82.00 to 90.33) compared to the control dose without hydrogel (14.66), which resulted in an average of one plant per linear meter.

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Milk production in tropical regions plays a crucial role both economically and socially. Typically, animals are utilized for dual purposes and are genetically obtained by an intense crossbreeding between Zebu and/or locally adapted breeds, alongside specialized breeds for dairy production. However, uncontrolled mating and crossbreeding may affect the establishment of an effective animal breeding program. The objective of this study was to evaluate Genomic diversity of highly crossbred cattle population in a Low and Middle Tropical environment. All sampled animals were genotyped using the Genessek GGP Bovine 100 chip (n = 859) and public genomic information from eight breeds were employed as reference. The genetic structure of the population was estimated using a Principal Component, Bayesian clustering and a linkage disequilibrium analysis. PCA results revealed that PC1 explained 44.39% of the variation, associated with the indicus/taurus differentiation, and PC2 explained 14.6% of the variation, attributed to the differentiation of Creole and European components. This analysis underscored a low population structure, attributed to the absence of genealogical tracking and the implementation of non-directed crossbreeding. The clustering shows an average contribution of Zebu, Creole, and European Taurine components in the population was 53.26%, 27.60%, and 19.13%, respectively. While an average LD of 0.096 was obtained for a maximum distance of 400 kb. The LD value was low in this population, probably due to the almost no selection applied and the recombination events that occurred during its development. These findings underscore the value of crossbreeding in tropical dairy production but emphasize the importance of directing the mattings.

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Characterisation of the water treatment sludge (WTS) generated in drinking water treatment plants (DWTPs) is crucial to define alternatives for its adequate management, including potential reuse options. To define these alternatives, it is necessary to evaluate rainfall seasonality effect on WTS production and its physical and chemical characteristics. This study assessed the production and characterisation of four types of alum-based WTS. The WTS was generated in a pilot-scale system from different raw water turbidities (i.e., low: <5 NTU, medium: 5-10 NTU, high: ≥10 NTU, and very high turbidity: ∼300 NTU) and coagulant doses. To estimate WTS production, mathematical models based on variables such as raw water turbidity, coagulant dosage, and organic matter removed were used. The WTS characterisations included physical (solids and particle size distribution), chemical (metallic oxides, pH, mineral phases), and surface properties (functional groups and zero-charge point pH). The modified Kawamura model presented the best fit (R2 = 1.0, RMSE = 0.1062 and the lower Akaike Information Criterion) for the estimation of WTS production, indicating that at the DWTPs, it is possible to make sludge production projections using only two simple variables: coagulant dose and the raw water turbidity. The four types of WTS consist mainly of amorphous materials (45-65 %), featuring some mineral phases and exhibiting high contents of Al (Al2O3: 30-34 %), Si (SiO2: 21-26 %) and Fe (Fe2O3: 11-13 %). Nevertheless, very high turbidity WTS shows variations in its characteristics, notably a heightened content of clays. As a result of the high concentrations of Al and Fe, the WTS has the potential to be used as coagulants or for the recovery of coagulants, especially low turbidity WTS, which is produced from water with low turbidity and organic matter. The presence of aluminium-silicate clays and the surface functional groups of the silica network suggest that WTS, particularly very high turbidity WTS, also has the potential to be raw materials for generating adsorbents. The potential applications of WTS in coagulation and adsorption can be leveraged in wastewater treatment, promoting the circular economy in the water sector.

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Infrared thermography may be an alternative technology for measuring the amount of CH4 produced and has the advantages of low cost, speed and efficiency in obtaining results. The study's objective was to determine if the infrared thermography is adequate for predicting the emission of CH4 in hair sheep and the best time after feeding to carry out the measurement. Twelve Santa Inês lambs (females, non-pregnant, with twelve months old and mean body weight of 39.3 ± 2.1 kg) remained for two days in respirometric chambers, in a semi-closed system, to determine the CH4 production. The animals were divided into two treatments, according to the diet provided. During this period, seven thermographic photographs were taken, at times - 1 h, -0.5 h, 0 h, 0.5 h, 1 h, 2 h, 3 h, 5 h, and 7 h, according to the feeding time, defined as 0 h. CH4 production was measured over 24 h. Thermographic images measured the maximum, minimum, average and point temperatures at the left and right flanks. The temperature difference between the left and right flanks (left minus right) was calculated each time. Pearson correlation coefficients, multiple regression and principal component analysis were carried out in SAS®. The best prediction of emission intensity of CH4 (kg of CH4 per dry matter intake) was obtained at 3 h after feeding: CH4/DMI = 13.9016-0,38673 * DifP2 + 3.39089 * DifMed2 (R² = 0.48), using the difference between left and right flanks for point and average temperature measures. Therefore, infrared thermography can be used as an indicator of CH4 production in hair sheep three hours after feeding.

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This study aimed to evaluate the genomic profile of the Antarctic marine Curtobacterium sp. CBMAI 2942, as well as to optimize the conditions for chitinase production and antifungal potential for biological control. Assembly and annotation of the genome confirmed the genomic potential for chitinase synthesis, revealing two ChBDs of chitin binding (Chi C). The optimization enzyme production using an experimental design resulted in a 3.7-fold increase in chitinase production. The chitinase enzyme was identified by SDS-PAGE and confirmed through mass spectrometry analysis. The enzymatic extract obtained using acetone showed antifungal activity against the phytopathogenic fungus Aspergillus sp. series Nigri CBMAI 1846. The genetic capability of Curtobacterium sp. CBMAI 2942 for chitin degradation was confirmed through genomic analysis. The basal culture medium was adjusted, and the chitinase produced by this isolate from Antarctica showed significant inhibition against Aspergillus sp. Nigri series CBMAI 1846, which is a tomato phytopathogenic fungus. This suggests that this marine bacterium could potentially be used as a biological control of agricultural pests.

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CONTEXT: The production of bioethanol from renewable raw materials is a decisive factor in the economic development of many countries. However, the complexity of the processes and the numerous experimental variables involved require a deeper understanding of the chemical reactions that take place during bioethanol production to define optimal parameters. Here, we have employed density functional theory-based calculations to investigate the local reactivity of oligomeric systems by considering crystalline and amorphous cellulose models to better understand some details regarding pulp pretreatment processes. Our results evidence a higher chemical susceptibility of amorphous portions of cellulose to chemicals typically employed in acid hydrolysis. Additionally, we observed that glucose monomers coming from cellulose hydrolysis may undergo oxidation, leading to the formation of byproducts such as hydroxymethylfurfural (HMF), acetic acid, formic acid, and levulinic acid. The analysis of local chemical softness indexes indicated that cellulose hydrolysis may be associated with intermediate chemical steps. Finally, we investigated the influence of distinct solvents (dielectric constants) on the local reactivity of the systems, evidencing a relevant role of the solvent dielectric constant for cellulose degradation in glucose. METHODS: Initial three-dimensional structures were constructed. Pre-optimizations were performed in a Hartree-Fock (HF) approach employing the PM7 semi-empirical hamiltonian. The structures were then re-optimized via density functional theory (DFT). The local reactivity study of the systems was conducted through the condensed-to-atoms Fukui indexes (CAFI). Systematic changes of the dielectric constants were also considered in geometry optimization and CAFI calculations to estimate the influence of solvents on the reactivity of the systems.

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In the present study, the microalga Arthrospira platensis DHR 20 was cultivated in vertical flat-plate photobioreactors (FPBRs) to bioremediate anaerobically digested cattle wastewater (ACWW) and used as a growth substrate. The final objective was to evaluate the properties of the oil extracted from this biomass to determine its potential for biodiesel production. The process was divided into five phases, varying the volume of the applied substrate: 1 L (Phase I), 5 L (Phase II), 10 L (Phase III), 15 L (Phase IV), and 20 L (Phase V). Dry biomass reached a maximum of 5.7 g L-1, and productivity peaked at 0.74 g L-1d-1. The highest rate of CO2 biofixation was 1213.5 mg L-1 day-1, showing good potential for purifying the air. The highest specific maximum growth rate (µmax) and the shortest doubling time (Dt) were found during Phase I. The removal of pollutants and nutrients during the experimental phases ranged from 65.8% to 87.1% for chemical oxygen demand (COD), 82.2% to 85.8% for total organic carbon (TOC), 91% to 99% for phosphate (PO43-), 62.5% to 93% for nitrate (NO3-), 90.4% to 99.7% for ammoniacal nitrogen (NH4+), and 86.5% to 98.5% for total nitrogen (TN). The highest lipid production recorded was 0.172 g L-1 day-1. The average cetane number recorded in Phase IV of 51 suggests that the fuel will ignite efficiently and consistently, providing smooth operation and potentially reducing pollutant emissions. The analysis of fatty acids revealed that the produced biodiesel has the potential to be used as an additive for other low-explosive biocombustibles, representing an innovative and sustainable approach that simultaneously offers bioremediation and carbon sequestration.

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