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Visceral leishmaniasis (VL), caused by protozoa of the genus Leishmania, remains a significant public health concern due to its potentially lethal nature if untreated. Current chemotherapy options are limited by severe toxicity and drug resistance. Derivatives of 1,2,4-oxadiazole have emerged as promising drug candidates due to their broad biological activity. This study investigated the effects of novel 1,2,4-oxadiazole derivatives (Ox1-Ox7) on Leishmania infantum, the etiological agent of VL. In silico predictions using SwissADME suggest that these compounds have high oral absorption and good bioavailability. Among them, Ox1 showed the most promise, with higher selectivity against promastigotes and lower cytotoxicity towards L929 fibroblasts and J774.G8 macrophages. Ox1 exhibited selectivity indices of 18.7 and 61.7 against L. infantum promastigotes and amastigotes, respectively, compared to peritoneal macrophages. Ultrastructural analyses revealed severe morphological damage in both parasite forms, leading to cell death. Additionally, Ox1 decreased the mitochondrial membrane potential in promastigotes, as shown by flow cytometry. Molecular docking and dynamic simulations indicated a strong affinity of Ox1 for the L. infantum CYP51 enzyme. Overall, Ox1 is a promising and effective compound against L. infantum.

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Gonadal sex determination (GSD) is a complex but poorly understood process in the early stages of embryonic development. This process determines whether the bipotential gonadal primordium (BGP) will differentiate into testes or ovaries through the activation of genetic factors related to Sertoli or Granulosa cells, respectively. The study of this developmental process remains challenging due to experimental limitations and the complexity of the underlying genetic interactions. Boolean Networks (BNs) are binary networks that simulate genetic behavior and are commonly used for modeling gene regulatory networks (GRNs) due to their simplicity when dealing with a high number of gene interactions. Reported BNs usually use a synchronous (parallel) update scheme, which means that all the nodes (representing genes) update their values simultaneously. However, the use of this update scheme has been criticized because it cannot represent biological systems that are highly regulated at a temporal scale. Asynchronous and block-sequential updating schemes appear as an alternative to tackle this issue. In the first case, the updating scheme follows a random behavior while, in the second case, the set of network nodes is partitioned into blocks such that the nodes within a block are updated simultaneously, and the blocks are considered in a specific order sequence. To assess the impact of different updating approaches in a GRN associated to GSD we first made a node reduction without losing the main dynamics of the original network which are related to the formation of testes and ovaries. Then, we tested the effect of perturbations given by the inactivation of genes on the network attractors, specifically the SRY and WNT4 genes, since the former is only present in the Y chromosome and the latter is of importance in early embryo development. We found that both genes were crucial, but WNT4 alone showed a higher percentage of attractors towards a phenotype than the SRY alone. Finally, we found that using asynchronous and block-sequential updating schemes, the attraction basins - i.e., the set of configurations that reach an attractor - remain with similar percentages to those of the original network, which supports the robustness of the model.

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BACKGROUND: The installation and testing of the first Radixact with Synchrony system in Colombia marked a significant milestone in Latin America's medical landscape. There was a need to devise a robust quality assurance protocol to comprehensively evaluate both dose delivery and motion tracking accuracy. However, testing experiences under clinical conditions have not been extensively reported. Additionally, there are limited recommended measuring devices for Synchrony evaluation. PURPOSE: To validate and implement an alternative setup for dynamic-PSQA while testing Synchrony's functionality under clinical scenarios, including real-patient motion traces, and to provide guidance to new centers undergoing clinical implementation of Helical Synchrony. METHODS: This approach involves using the Iba miniPhantomR with strategically placed fiducial markers for configuring Gafchromic-films and array-based setups. When paired with the CIRS Dynamic Platform, this enables an innovative dynamic setup with trackable features for Synchrony delivery testing. Assessment scenarios, including compensation (M1S1) and no-motion compensation (M1S0), were evaluated using 2D-gamma pass rate analysis with multiple clinical gamma criteria. The Synchrony-Simulation feature was used to assess pre-treatment performance and capture the patient's target motion pattern. Synchrony for common clinical cases with patient's motion-traces was validated. RESULTS: The results for M1S0 and M1S1 demonstrated consistency with previous studies evaluating Synchrony functionality. Analysis using different gamma criteria unveiled dosimetric differences and impacts across various motion ranges. The application of effective kV-dose subtraction for array-based methods is of upmost importance when evaluating dynamic-PSQA with stringent gamma-criteria. However, no significant kV-dose impact on EBT3-Film was detectable. CONCLUSION: Two implemented configurations for dynamic-PSQA setups were validated and successfully integrated into our clinic. We addressed both the benefits and limitations of array-based and film-based methods. The functionality and limitations of Synchrony were evaluated using the proposed setups. The potential utility of Synchrony-Simulation, along with the proposed patient-case classification table, can offer valuable support for new users during the clinical implementation of Synchrony treatments.

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OBJECTIVES: To analyze the incorporation of cardanol trimethacrylate monomer (CTMA), derived from the cashew nut shell liquid, as a substitute for Bis-GMA in acrylic resins formulations and its effect on experimental resin composites' physicochemical and mechanical properties. MATERIALS AND METHODS: The intermediary cardanol epoxy was synthesized via cardanol epoxidation, followed by the synthesis of CTMA through methacrylic anhydride solvent-free esterification. Experimental resin composites were formulated with an organic matrix composed of Bis-GMA/TEGDMA (50/50 wt %) (control). CTMA was gradually added to replace different proportions of Bis-GMA: 10 wt % (CTMA-10), 20 wt % (CTMA-20), 40 wt % (CTMA-40), and 50 wt % (CTMA-50). The composites were characterized by degree of conversion, water sorption and solubility, viscosity, thermogravimetric analysis, dynamic mechanical analysis, flexural strength and elastic modulus. Data were analyzed with one-way ANOVA and Tukey's post-hoc test (α = 0.05), except for water sorption data, which were analyzed by Kruskall-Wallis and Dunn's method. RESULTS: CTMA-based and control composites did not show statistically significant differences regarding degree of conversion, flexural strength and elastic modulus. CTMA reduced the viscosity and solubility compared to the Bis-GMA-based composite. The CTMA-40 and CTMA-50 exhibited significantly lower water sorption compared to the control. Also, acceptable thermal stability and viscoelastic properties were obtained for safe use in the oral cavity. CONCLUSIONS: Incorporating CTMA into composites resulted in similar chemical and mechanical properties compared to Bis-GMA-based material while reducing viscosity, water sorption and solubility. CLINICAL RELEVANCE: CTMA could be used as a trimethacrylate monomer replacing Bis-GMA in resin composites, thereby minimizing BPA exposure.

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Systems chemistry aims to develop molecular systems that display emerging properties arising from their network and absent in their individual constituents. Employing reversible chemistry under thermodynamic control represents a valuable tool for generating dynamic combinatorial libraries of interconverting molecules, which may exhibit intriguing collective behaviour. A simple dynamic combinatorial library was prepared using dithioacetal/thiol/disulfide exchanges. Because of the relative reactivities of these reversible reactions, the library constitutes a two-layer dynamic system with one layer active in an acid medium (thiol/dithioacetal exchange) and one layer active in a basic medium (thiol/disulfide exchange). This property enables the system to respond to momentary changes in acidity of the medium by activating different network regions, channeling some building blocks from one layer to another through shared thiol reagents (nodes). This momentaneous change in wiring affects the final steady state composition of the library, measured the next day, even though the event that caused it vanishes without leaving any residue. Therefore, the final composition of this dynamic system provides information about this transient past perturbation in the environment such as: when it occurred, how long it was, or how intense it was.

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BACKGROUND: Evidence shows that motivational practices focused on utility, importance, and autonomy shape university students' motivational orientation toward learning. On the other hand, the relationship between these variables and motivational orientation toward learning is not linear and requires models that describe their behavior over time. METHOD: In this study, mathematical modeling based on system dynamics methodology is used to simulate in health students the temporal dynamics of the motivational orientation toward learning based on the behavior of these variables in different scenarios. RESULTS: The results indicate that a) Mastery is sensitive to changes in frequency when importance and autonomy practices are performed; b) the development of Mastery is critical in the first three semesters of academic life, but its loss is hardly recoverable even when practices are incorporated in subsequent semesters; c) Utility-focused motivational practices have no significant effect on the development of learning-oriented motivation. CONCLUSION: These findings have significant practical implications for higher education. Understanding the critical role of Mastery in the early stages of academic life and the limited potential for recovery if lost can help raise awareness of the importance of early implementation of motivational practices focused on relevance and autonomy.

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BACKGROUND: Hypotension during dialysis arises from vasomotor tone alterations and hypovolemia, with disrupted counterregulatory mechanisms in acute kidney injury (AKI) patients. This study investigated the predictive value of preload dependency, assessed by the passive leg raising (PLR) test, and arterial tone, measured by dynamic elastance (Eadyn), for intradialytic hypotension (IDH). METHODS: In this prospective observational study conducted in a tertiary hospital ICU, hemodynamic parameters were collected from critically ill AKI patients undergoing intermittent hemodialysis using the FloTrac/Vigileo system. Baseline measurements were recorded before KRT initiation, including the PLR test and Eadyn calculation. IDH was defined as mean arterial pressure (MAP) < 65 mmHg during dialysis. Logistic regression was used to identify predictors of IDH, and Kaplan-Meier analysis assessed 90-day survival. RESULTS: Of 187 patients, 27.3% experienced IDH. Preload dependency, identified by positive PLR test, was significantly associated with IDH (OR 8.54, 95% CI 5.25-27.74), while baseline Eadyn was not predictive of IDH in this cohort. Other significant predictors of IDH included norepinephrine use (OR 16.35, 95% CI 3.87-68.98) and lower baseline MAP (OR 0.96, 95% CI 0.94-1.00). IDH and a positive PLR test were associated with lower 90-day survival (p < 0.001). CONCLUSIONS: The PLR test is a valuable tool for predicting IDH in critically ill AKI patients undergoing KRT, while baseline Eadyn did not demonstrate predictive value in this setting. Continuous hemodynamic monitoring, including assessment of preload dependency, may optimize patient management and potentially improve outcomes. Further research is warranted to validate these findings and develop targeted interventions to prevent IDH.

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Mitigating Urban Heat Island (UHI) intensity in cities through adaptative strategies has become an urgent need, as UHI are also exacerbated by climate change impacts imputable to anthropogenic actions. This study addresses the need for reliable simulation models to analyze outdoor thermal comfort (OTC) in future or alternative scenarios. The aim of the present study is to contribute to the validation of CFD urban microclimate simulations by employing intra-urban canyon transects as an alternative or a complementary approach to fixed stations. To accomplish this, we developed a cost-effective monitoring unit to carry out transects on a pre-defined route (1), devised the area of interest (2), elaborated a simulation model in ENVI-met (3), and proposed different validation methods for comparative analyses (4). Results indicate that temporal validated simulation tended to underestimate thermal indices in the morning and night and overestimate them in the afternoon, while spatio-temporal validation under a human-centric comfort approach via wearable sensing notably improved accuracy. Moderate to very strong agreement between simulation and measurement data in summer (Willmot's d ~ 0.70, d ~ 0.81) and very strong agreement in winter (d ~ 0.79, d ~ 0.96), with low error magnitudes in summer (RMSE ~ 0.91℃ and 9.59%, MBE ~ 0.23℃ and 9.10%) have been found. In winter, such figures were RMSE ~ 0.71℃ and 3.51%, MBE ~ 0.00℃ and 0.98%, for the spatio-temporal validated model. This research contributes to enhancing the reliability of relatively affordable CFD urban microclimate simulations, supporting its scale up for policymakers in implementing effective strategies for OTC.

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A multi-objective optimization is performed to obtain fueling conditions in hydrogen stations leading to improved filling times and thermodynamic efficiency (entropy production) of the de facto standard of operation, which is defined by the protocol SAE J2601. After finding the Pareto frontier between filling time and total entropy production, it was found that SAE J2601 is suboptimal in terms of these process variables. Specifically, reductions of filling time from 47 to 77% are possible in the analyzed range of ambient temperatures (from 10 to 40 °C) with higher saving potential the hotter the weather conditions. Maximum entropy production savings with respect to SAE J2601 (7% for 10 °C, 1% for 40 °C) demand a longer filling time that increases with ambient temperature (264% for 10 °C, 350% for 40 °C). Considering average electricity prices in California, USA, the operating cost of the filling process can be reduced between 8 and 28% without increasing the expected filling time.

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In this work, we investigate the influence of curvature on the dynamic susceptibility in FeGe nanowires, both curved and straight, hosting a skyrmionic tube texture under the action of an external bias field, using micromagnetic simulations. Our results demonstrate that both the resonance frequencies and the number of resonant peaks are highly dependent on the curvature of the system. To further understand the nature of the spin wave modes, we analyze the spatial distributions of the resonant mode amplitudes and phases, describing the differences among resonance modes observed. The ability to control the dynamic properties and frequencies of these nanostructures underscores their potential application in frequency-selective magnetic devices.

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The performance of dynamic body-feed filtration (DBF) in the removal of bulky solids produced during the manufacturing of snake antivenoms using the caprylic acid method was evaluated. For this purpose, diatomites with different filterability properties were compared in a bench-scale study to assess their effectiveness in removing the precipitated material formed after the addition of caprylic acid to equine hyperimmune plasma. C1000 diatomite at a concentration of 90 g/L of precipitated plasma showed the best performance. Then, the process was scaled up to three batches of 50 L of hyperimmune horse plasma. At this pilot scale, 108 ± 4% of the immunoglobulins present following plasma precipitation were recovered after DBF. The antivenoms generated using this procedure met quality specifications. When compared to open filtration systems commonly used at an industrial scale by many antivenom manufacturers, DBF has a similar yield and produces filtrates with comparable physicochemical characteristics. However, DBF ensures the microbiological quality of the primary clarification in a way that open systems cannot. This is because: 1) DBF is performed in a single-use closed device of depth filters which prevents microbial contamination, and 2) DBF removes bulky material in few minutes instead of the more than 24 h needed by open filtration systems, thus reducing the risk of contamination. It was concluded that DBF is a cost-effective, easily validated, and GMP-compliant alternative for primary clarification following caprylic acid precipitation of plasma in snake antivenom production.

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The variance-mean scaling in population abundance or Taylor's power law (TPL) has been reported hundreds of times and is related to ecological processes such as competition, dispersal or territoriality. In this sense, the TPL was extensively validated to resume population variability and to show the action of ecological mechanisms. Baumgartner and Peláez (2024) combine databases of fish dynamics along the United States, species traits, species phylogeny and climatic conditions, estimating the TPL for 180 species along 972 populations. The observed scaling suggests that the variability of the population decreases with abundance. Notably, 68% of the variation in the variance-mean scaling was explained by species traits and environmental conditions. Specifically, the life history of the species, associated with its body size, was the main explanation for the TPL, also reporting that the variability of the population increased faster with mean abundance in the headwaters than in other river sections. Equally important, the diversity of the community in which the species were inserted did not affect the scaling. These results provide overwhelming evidence on the nature of TPL on large geographic scales and how they are affected by species biology and environmental conditions. A contribution that should motivate further empirical and theoretical analysis of the TPL and its determinants.

El escalamiento en varianza con la media de la abundancia poblacional, ha sido reportado en cientos de sistemas y es conocido como Ley Poder de Taylor (TPL, de sus siglas en inglés). Este escalamiento se ha relacionado con la importancia de la competencia, dispersión o territorialidad, resumiendo la dinámica poblacional y su conexión con distintos mecanismos ecológicos. El estudio publicado por Baumgartner y Peláez (2024) combina bases de datos de dinámica de peces en los Estados Unidos de América, de sus rasgos, filogenia y ambientales, estimando la TPL para un total de 180 especies a lo largo de 972 poblaciones. El escalamiento observado sugiere que la variabilidad disminuye con la abundancia de las poblaciones. Notablemente, el 68% de la variación en el escalamiento fue explicado por los rasgos de las especies (historia de vida y tamaño corporal) y las condiciones ambientales. Aumentando más rápidamente la variabilidad en la dinámica poblacional con la abundancia media en las cabeceras que en otras secciones del río. Igualmente importante fue la falta de efectos significativos de la biodiversidad de la comunidad sobre el escalamiento varianza­media de sus poblaciones. Estos resultados proporcionan una contundente evidencia sobre la naturaleza de la TPL en grandes escalas geográficas y cómo se ve afectada por la biología de las especies y las condiciones ambientales. Resultados y abordajes que sugieren futuros análisis empíricos y teóricos sobre la TPL y sus determinantes.

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Exposure to loud sound during leisure time is identified as a significant risk factor for hearing by health authorities worldwide. The current standard that defines unsafe exposure rests on the equal-energy hypothesis, according to which the maximum recommended exposure is a tradeoff between level and daily exposure duration, a satisfactory recipe except for strongly non-Gaussian intense sounds such as gunshots. Nowadays, sound broadcast by music and videoconference streaming services makes extensive use of numerical dynamic range compression. By filling in millisecond-long valleys in the signal to prevent competing noise from masking, it pulls sound-level statistics away from a Gaussian distribution, the framework where the equal-energy hypothesis emerged. Auditory effects of a single 4 hour exposure to the same music were compared in two samples of guinea pigs exposed either to its original or overcompressed version played at the same average level of 102 dBA allowed by French regulations. Apart from a temporary shift of otoacoustic emissions at the lowest two frequencies 2 and 3 kHz, music exposure had no detectable cochlear effect, as monitored at 1, 2 and 7 days post-exposure. Conversely, middle-ear muscle strength behaved differentially as the group exposed to original music had fully recovered one day after exposure whereas the group exposed to overcompressed music remained stuck to about 50% of baseline even after 7 days. Subsamples were then re-exposed to the same music as the first time and sacrificed for density measurements of inner-hair-cell synapses. No difference in synaptic density was found compared to unexposed controls with either type of music. The present results show that the same music piece, harmless when played in its original version, induces a protracted deficit of one auditory neural pathway when overcompressed at the same level. The induced disorder does not seem to involve inner-hair cell synapses.

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The Zika virus (ZIKV) is a global health threat due to its rapid spread and severe health implications, including congenital abnormalities and neurological complications. Differentiating ZIKV from other arboviruses such as dengue virus (DENV) is crucial for effective diagnosis and treatment. This study presents the development of a biosensor for detecting the ZIKV non-structural protein 1 (NS1) using gold nanoparticles (AuNPs) functionalized with monoclonal antibodies employing dynamic light scattering (DLS). The biosensor named ZINS1-mAb-AuNP exhibited specific binding to the ZIKV NS1 protein, demonstrating high colloidal stability indicated by a hydrodynamic diameter (DH) of 140 nm, detectable via DLS. In the absence of the protein, the high ionic strength medium caused particle aggregation. This detection method showed good sensitivity and specificity, with a limit of detection (LOD) of 0.96 µg mL-1, and avoided cross-reactivity with DENV2 NS1 and SARS-CoV-2 spike proteins. The ZINS1-mAb-AuNP biosensor represents a promising tool for the early and accurate detection of ZIKV, facilitating diagnostic and treatment capabilities for arboviral infections.

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Zika virus (ZIKV) is an emergent flavivirus that represents a global public health concern due to its association with severe neurological disorders. NS2B is a multifunctional viral membrane protein primarily used to regulate viral protease activity and is crucial for virus replication, making it an appealing target for antiviral drugs. This study presents the structural elucidation of full-length ZIKV NS2B in sodium dodecyl sulfate (SDS) micelles using solution nuclear magnetic resonance experimental data and RosettaMP. The protein structure has four transmembrane α-helices, two amphipathic α-helices, and a ß-hairpin in the hydrophilic region. NS2B presented secondary and tertiary stability in different concentrations of SDS. Furthermore, we studied the dynamics of NS2B in SDS micelles through relaxation parameters and paramagnetic relaxation enhancement experiments. The findings were consistent with the structural calculations. Our work will be essential in understanding the role of NS2B in viral replication and screening for inhibitors against ZIKV.

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This study investigates the toxic effects of the insecticide spinetoram on the model organism Bombyx mori (Linnaeus) and explores the potential ameliorative properties of O-Vanillin. Sub-lethal concentrations of spinetoram were given to silkworm larvae via oral feed, resulting in reduced body weight, larval length, and impaired cocoon characteristics. A study of the enzymatic and non-enzymatic antioxidants revealed oxidative stress in the gut, fat body, and silk gland tissues, characterized by decreased antioxidants and increased lipid peroxidation. However, post-treatment with O-Vanillin effectively mitigated these toxic effects, preserving antioxidant capacities and preventing lipid peroxidation. Additionally, O-Vanillin prevented the loss of body weight and improved cocoon characteristics. At the histological level, spinetoram exposure caused mild histological damage in the gut, fat body, and silk gland. However, O-Vanillin post-treatment had ameliorative effects and mitigated the histological damages. To delve deeper into the mechanism of amelioration of O-Vanillin, in silico studies were used to study the interaction between an important xenobiotic metabolism protein of the Bombyx mori, i.e., Cytochrome p450, specifically CYP9A19, and O-Vanillin. We performed blind molecular docking followed by molecular dynamic simulation, and the results demonstrated stable binding interactions between O-Vanillin and CYP9A19, a cytochrome P450 protein in silkworm, belonging to the subfamily CYP9A, suggesting a potential role for O-vanillin in modulating xenobiotic metabolism.

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Understanding the neurophysiological mechanisms of schizophrenia (SZ) is one of the challenges of neuroscience. Many anatomical and functional studies have pointed to problems in brain connectivity in SZ individuals. However, little is known about the relationships between specific brain regions and impairments in brain connectivity in SZ individuals. Herein we propose a new approach using time-varying graphs and the motif synchronization method to build dynamic brain functional networks (BFNs). Dynamic BFNs were constructed from resting-state electroencephalography (rs-EEG) of 14 schizophrenia (SZ) individuals and 14 healthy controls (HCs). BFNs were evaluated based on the percentage of synchronization importance between a pair of regions (considering external and internal interactions) over time. We found differences in the directed interaction between brain regions in SZ individuals compared to the control group. Our method revealed low bilaterally directed interactions between the temporal lobes in SZ individuals compared to HCs, indicating a potential link between altered brain connectivity and the characteristic symptoms of schizophrenia. From a clinical perspective, these results shed light on developing new therapeutic approaches targeting these specific neural interactions that are altered in individuals with SZ. This knowledge allows the application of better interventions focused on restoring or compensating for interrupted connectivity patterns.

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Herein, we investigated hydrogels composed of boronic-acid-functionalized alginate and blended with polyvinyl alcohol (PVA) of different molecular weights to control the release of metoclopramide hydrochloride as a function of pH and shear stress. The functionalization of alginate introduced dynamic covalent bonding and pH-responsive properties that can modulate network connectivity. The study investigated the viscoelastic properties of the hydrogels, their drug release profiles, and their responsiveness to changes in pH and shear forces. The results showed that a higher PVA molecular weight and alkaline pH conditions increased hydrogel viscosity and stiffness due to a more stable and interconnected network structure than acidic pH. Metoclopramide release revealed that the hydrogels exhibited pH-responsive drug release behavior. The drug was more readily released under acidic conditions due to the instability of sp2-hybridized boronate ester bonds. The influence of shear forces on the release of metoclopramide was also investigated at shear rates of 1, 10, and 100 s-1, revealing their effect on matrix stiffening. Research shows that AlgBA/PVA hydrogels have unique properties, such as dynamic covalent bonding, that make them sensitive to external mechanical forces. This sensitivity makes them ideal for applications where physiological conditions trigger drug release.

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The structural health monitoring (SHM) of buildings provides relevant data for the evaluation of the structural behavior over time, the efficiency of maintenance, strengthening, and post-earthquake conditions. This paper presents the design and implementation of a continuous SHM system based on dynamic properties, base accelerations, crack widths, out-of-plane rotations, and environmental data for the retrofitted church of Kuñotambo, a 17th century adobe structure, located in the Peruvian Andes. The system produces continuous hourly records. The organization, data collection, and processing of the SHM system follows different approaches and stages, concluding with the assessment of the structural and environmental conditions over time compared to predefined thresholds. The SHM system was implemented in May 2022 and is part of the Seismic Retrofitting Project of the Getty Conservation Institute. The initial results from the first twelve months of monitoring revealed seasonal fluctuations in crack widths, out-of-plane rotations, and natural frequencies, influenced by hygrothermal cycles, and an apparent positive trend, but more data are needed to justify the nature of these actions. This study emphasizes the necessity for extended data collection to establish robust correlations and refine monitoring strategies, aiming to enhance the longevity and safety of historic adobe structures under seismic risk.