Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 20 de 793
Filtrar
1.
Caries Res ; 2024 Jul 03.
Artigo em Inglês | MEDLINE | ID: mdl-38959874

RESUMO

AIM: The aim of this study was to compare the biological effects of four chemical caries removal materials and to assess their cytotoxicity using human dental pulp stem cells (hDPSCs). METHODS: The products evaluated are: 1 - Papain based product (BRIX 3000®); 2 - Papain/chloramine based products (NATURAL-CARE and Papacárie Duo®); and 3 - Chloramine based product (Cariesolut); The following in vitro experiments were carried out: IC50 measurement, cell metabolic activity (MTT) assay, cell migration, immunofluorescence experiment, cell apoptosis analysis, and reactive oxygen species (ROS) production analysis. Statistical analyses were performed using one-way ANOVA followed by Tukey's post hoc test (p<0.05). RESULTS: The IC50 values were: Brix 3000: 0.596%; Papacárie Duo: 0.052%; NATURAL CARE: 1.034%; and Cariesolut: 0.020%. The MTT assays showed non-adequate cell viability of all CMCR tested at 2% at 24, 48, and 72 h (p<0.001). The same behaviour was observed at 0.1% in the Papacárie Duo and Cariesolut groups. In contrast, 0.1% of Brix 3000 at all times and NATURAL CARE at 24h treated cells showed cell viability rates similar to the control group. At 0.01% only Brix 3000 did not show statistically significant differences at any time. Delayed cell migration was observed in all hDPSCs treated with Papacárie Duo and Cariesolut (p<0.01 and p<0.001). Phalloidin staining images showed a high confluence of cells in the presence of NATURAL CARE, similar to the control group. On the contrary, no cells were observed in Brix3000 and Cariesolut at 2% and 0.1% concentrations. Papacárie Duo showed cells at all concentrations, but hDPSCs treated at 0.01% exhibited better proliferation and spreading than those in the control group. Apoptosis assay showed that Brix 3000 at 0.1% and 0.01% had a percentage of live cells higher than 99%, with 68.4% live cells at 2%, 3.69% early apoptotic cells, and 27.9% late apoptotic cells. Conversely, the remaining materials showed abundant apoptotic cells, even at low concentrations. 0.1% and 0.01%of BRIX 3000 did not affect the ROS production levels, while 2% of BRIX 3000 counterparts significantly increased the percentage of CM-H2DCFDA positive cells. Again, all concentrations of Cariesolut showed significantly higher levels of ROS production than those observed in control cells. CONCLUSION: Our results suggest that Brix 3000 would be the most suitable material for chemical caries removal.

2.
Sci Rep ; 14(1): 16927, 2024 Jul 23.
Artigo em Inglês | MEDLINE | ID: mdl-39043833

RESUMO

Precision in grazing management is highly dependent on accurate pasture monitoring. Typically, this is often overlooked because existing approaches are labour-intensive, need calibration, and are commonly perceived as inaccurate. Machine-learning processes harnessing big data, including remote sensing, can offer a new era of decision-support tools (DST) for pasture monitoring. Its application on-farm remains poor because of a lack of evidence about its accuracy. This study aimed at evaluating and quantifying the minimum data required to train a machine-learning satellite-based DST focusing on accurate pasture biomass prediction using this approach. Management data from 14 farms in New South Wales, Australia and measured pasture biomass throughout 12 consecutive months using a calibrated rising plate meter (RPM) as well as pasture biomass estimated using a DST based on high temporal/spatial resolution satellite images were available. Data were balanced according to farm and week of each month and randomly allocated for model evaluation (20%) and for progressive training (80%) as follows: 25% training subset (1W: week 1 in each month); 50% (2W: week 1 and 3); 75% (3W: week 1, 3, and 4); and 100% (4W: week 1 to 4). Pasture biomass estimates using the DST across all training datasets were evaluated against a calibrated rising plate meter (RPM) using mean-absolute error (MAE, kg DM/ha) among other statistics. Tukey's HSD test was used to determine the differences between MAE across all training datasets. Relative to the control (no training, MAE: 498 kg DM ha-1) 1W did not improve the prediction accuracy of the DST (P > 0.05). With the 2W training dataset, the MAE decreased to 342 kg DM ha-1 (P < 0.001), while for the other training datasets, MAE decreased marginally (P > 0.05). This study accounts for minimal training data for a machine-learning DST to monitor pastures from satellites with comparable accuracy to a calibrated RPM which is considered the 'gold standard' for pasture biomass monitoring.


Assuntos
Biomassa , Indústria de Laticínios , Aprendizado de Máquina , Tecnologia de Sensoriamento Remoto , Tecnologia de Sensoriamento Remoto/métodos , Animais , Indústria de Laticínios/métodos , Austrália , Bovinos , New South Wales
3.
Chem Biodivers ; : e202401331, 2024 Jun 21.
Artigo em Inglês | MEDLINE | ID: mdl-39031675

RESUMO

The flowers of Yucca aloifolia ("flor de izote") are considered a millenary food in the Northeastern Highlands of Puebla, Mexico. The present investigation reports on the chemical and biological activities of the hydroalcoholic extract (YAHF) obtained from this edible source. HPLC-MS profiling revealed twenty bioactive phenolic compounds with chlorogenic acid (16.5 mg g-1 DW), quercetin (9.5 mg g-1 FW), and their glycosides (rutin and quercitrin), as well as caffeic acid (8.4 mg g-1 DW) and ferulic acid (7.9 mg g-1 DW) as major compounds dissolved in YAHF. Six metabolites had potent anti-lipase (IC50 < 100 µg mL-1) and anti-ornithine decarboxylase activity (IC50 < 100 µg mL-1), whereas thirteen exerted strong anti-alpha-glucosidase properties (IC50< 100 µg mL-1). The evaluation of YAHF in mice subjected to standard oral glucose tolerance tests and prolonged administration of hypercaloric/atherogenic diet (30 days), unraveled their ability to improve glucose and lipid profiles. YAHF and six phenolic compounds significantly reduced DLD-1 cell viability (IC50, 117.9 µg mL-1) and avoided polyamine accumulation linked to anti-ornithine decarboxylase activity. YAHF and its twenty constituents exerted low toxicity in probiotics (> 1000 µg mL-1) and 3T3 fibroblasts (> 2.5 mg mL-1), sustaining their safeness for human consumption.

4.
Macromolecules ; 57(14): 6577-6582, 2024 Jul 23.
Artigo em Inglês | MEDLINE | ID: mdl-39071046

RESUMO

A new approach to ring-opening polymerization (ROP) based on C(sp3)-C(sp3) bond cleavage is reported. This process is based on the ability of Pd to promote both the ß-carbon elimination of a bifunctional cyclobutanol precursor and the C-C coupling process with the resulting Pd-alkyl intermediate. Consequently, novel polyketone materials are obtained. Owing to the modular synthesis of the used cyclobutanol monomers, the present ROP reaction allows the introduction of substitution patterns in the polymeric chain that are not accessible by current polyketone synthesis methodologies. We have explored in detail the initiation, propagation, and termination steps of this new polymerization process.

5.
Mar Pollut Bull ; 206: 116757, 2024 Jul 25.
Artigo em Inglês | MEDLINE | ID: mdl-39059224

RESUMO

Metal pollution is a significant environmental and health problem in aquatic ecosystems worldwide, particularly in coastal systems impacted by emissions from thermoelectric plants, as is the case of the Tampamachoco lagoon. To evaluate the seasonal contamination levels of Cd, Pb, Cr, and Cu in species of commercial interest in the Tampamachoco lagoon and estimate the health risk associated with their consumption, a total of 180 fish, 90 oysters (Crassostrea virginica), 27 crabs (Callinectes sapidus), and 24 shrimp (Litopenaeus setiferus) were sampled. Metal concentrations in the species analyzed were Cu > Pb > Cr > Cd. According to the Target Hazard Quotient and the health risk index, consumption of the marine species examined should be considered safe for human health, as both values are <1. However, Carcinogenic risk values for Pb and Cr indicated that consumers may be at risk of cancer (10-3), due to exposure from the thermoelectric emissions.

6.
Dent Mater ; 2024 Jul 26.
Artigo em Inglês | MEDLINE | ID: mdl-39068091

RESUMO

OBJECTIVE: Drug-loaded non-resorbable polymeric nanoparticles (NPs) are proposed as an adjunctive treatment for pulp regenerative strategies. The present in vitro investigation aimed to evaluate the effectiveness of tideglusib-doped nanoparticles (TDg-NPs) in mitigating the adverse effects of bacterial lipopolysaccharide endotoxin (LPS) on the viability, morphology, migration, differentiation and mineralization potential of human dental pulp stem cells (hDPSCs). METHODS: Cell viability, proliferation, and differentiation were assessed using a MTT assay, cell migration evaluation, cell cytoskeleton staining analysis, Alizarin Red S staining and expression of the odontogenic related genes by a real-time quantitative polymerase chain reaction (RT-qPCR) were also performed. Cells were tested both with and without stimulation with LPS at various time points. One-way ANOVA and Tukey's test were employed for statistical analysis (p < 0.05). RESULTS: Adequate cell viability was encountered in all groups and at every tested time point (24, 48, 72 and 168 h), without differences among the groups (p > 0.05). The analysis of cell cytoskeleton showed nuclear alteration in cultures with undoped NPs after LPS stimulation. These cells exhibited an in blue diffuse and multifocal appearance. Some nuclei looked fragmented and condensed. hDPSCs after LPS stimulation but in the presence of TDg-NPs exhibited less nuclei changes. LPS induced down-regulation of Alkaline phosphatase, Osteonectin and Collagen1 gene markers, after 21d. LPS half-reduced the cells production of calcium deposits in all groups (p < 0.05), except in the group with TDg-NPs (decrease about 10 %). SIGNIFICANCE: LPS induced lower mineral deposition and cytoskeletal disorganization in hDPSCs. These effects were counteracted by TDg-NPs, enhancing osteogenic differentiation and mineralization.

7.
Med Gas Res ; 14(3): 121-126, 2024 Sep 01.
Artigo em Inglês | MEDLINE | ID: mdl-39073340

RESUMO

Tumor hypoxia may compromise the results of chemotherapy for treating colorectal cancer because it stimulates angiogenesis and the release of tumor growth factors. Hyperbaric oxygen (HBO) supplementation may potentiate the effects of chemotherapy in such cases. This study aimed to assess the effect of HBO therapy combined with chemotherapy on the treatment of colorectal cancer in mice. C57BL6 mice were submitted to the intrarectal instillation of N-methyl-N-nitrosoguanidine (MNNG) and treated with 5-fluorouracil (5FU) and/or HBO therapy. The MNNG group presented the highest dysplastic crypt rate. The 5FU + HBO group presented the highest rate of apoptotic cells per dysplastic crypt. The 5FU group presented the highest expression of hypoxia-inducible factor-1 alpha and CD44. HBO therapy increased the effect of 5FU on the treatment of the experimental colorectal neoplasia in mice.


Assuntos
Neoplasias Colorretais , Fluoruracila , Oxigenoterapia Hiperbárica , Camundongos Endogâmicos C57BL , Animais , Fluoruracila/farmacologia , Camundongos , Neoplasias Colorretais/terapia , Neoplasias Colorretais/patologia , Neoplasias Colorretais/tratamento farmacológico , Masculino , Antimetabólitos Antineoplásicos/farmacologia , Apoptose/efeitos dos fármacos , Subunidade alfa do Fator 1 Induzível por Hipóxia/metabolismo , Receptores de Hialuronatos/metabolismo , Terapia Combinada , Metilnitronitrosoguanidina/farmacologia
8.
Clin Oral Investig ; 28(8): 416, 2024 Jul 06.
Artigo em Inglês | MEDLINE | ID: mdl-38969964

RESUMO

OBJECTIVES: To assess the biocompatibility, bioactivity, and immunomodulatory properties of three new calcium silicate cement-based sealers: Ceraseal (CS), Totalfill BC Sealer (TFbc) and WellRoot ST (WR-ST) on human periodontal ligament stem cells (hPDLSCs). MATERIALS AND METHODS: HPDLSCs were isolated from extracted third molars from healthy patients. Eluates (1:1, 1:2, and 1:4 ratio) and sample discs of CS, TFbc and WR-ST after setting were prepared. A series of assays were performed: cell characterization, cell metabolic activity (MTT assay) cell attachment and morphology (SEM assay), cell migration (wound-healing assay), cytoskeleton organization (phaloidin-based assay); IL-6 and IL-8 release (ELISA); differentiation marker expression (RT-qPCR assay), and cell mineralization (Alizarin Red S staining). HPDLSCs cultured in unconditioned (negative control) or osteogenic (positive control) culture media were used as a comparison. Statistical significance was established at p < 0.05. RESULTS: All the tested sealers exhibited similar results in the cytocompatibility assays (cell metabolic activity, migration, attachment, morphology, and cytoskeleton organization) compared with a negative control group. CS and TFbc exhibited an upregulation of at least one osteo/cementogenic marker compared to the negative and positive control groups. CS and TFbc also showed a significantly higher calcified nodule formation than the negative and positive control groups. Both the marker expression and calcified nodule formation were significantly higher in CS-treated cells than TFbc treated cells. WR-ST exhibited similar results to the control group. CS and TFbc-treated cells exhibited a significant downregulation of IL-6 after 72 h of culture compared to the negative control group (p < 0.05). CONCLUSION: All the tested sealers exhibited an adequate cytocompatibility. CS significantly enhances cell differentiation by upregulating the expression of key genes associated with bone and cementum formation. Additionally, CS was observed to facilitate the mineralization of the extracellular matrix effectively. In contrast, the effects of TFbc and WR-ST on these processes were less pronounced compared to CS. Furthermore, both CS and TFbc exhibited an anti-inflammatory potential, contributing to their potential therapeutic benefits in regenerative endodontics. CLINICAL RELEVANCE: This is the first study to compare the biological properties and immunomodulatory potential of Ceraseal, Totalfill BC Sealer, and WellRoot ST. The results act as supporting evidence for their use in root canal treatment.


Assuntos
Materiais Biocompatíveis , Compostos de Cálcio , Teste de Materiais , Ligamento Periodontal , Silicatos , Compostos de Cálcio/farmacologia , Silicatos/farmacologia , Humanos , Ligamento Periodontal/citologia , Ligamento Periodontal/efeitos dos fármacos , Materiais Biocompatíveis/farmacologia , Técnicas In Vitro , Células Cultivadas , Células-Tronco/efeitos dos fármacos , Materiais Restauradores do Canal Radicular/farmacologia , Diferenciação Celular/efeitos dos fármacos , Movimento Celular/efeitos dos fármacos , Ensaio de Imunoadsorção Enzimática , Adesão Celular/efeitos dos fármacos , Dente Serotino
9.
Arch Med Res ; 55(6): 103046, 2024 Jul 15.
Artigo em Inglês | MEDLINE | ID: mdl-39013263

RESUMO

BACKGROUND: The aging population prompts studying risk factors and markers to predict healthy aging. Telomere length is a promising candidate for assessing various age-related traits. AIM OF THE STUDY: To investigate the association between physical performance and telomere length. METHODS: We enrolled 323 older Mexican adults from the "Cohort of Obesity, Sarcopenia, and Frailty of Older Mexican Adults" affiliated with the Instituto Mexicano del Seguro Social and assessed their physical performance using the Short Physical Performance Battery, dividing participants into low (≤7) and high (>7) groups. Absolute telomere length was determined by qPCR, and individuals were classified into short (≤4.22 kb) and long (>4.22 kb) groups. We calculated the mean and adjusted mean, considering sex and age, among others, with 95% CI. We estimated the effect size between physical performance and telomere length using Cohen's d for unequal group sizes and calculated the odds ratio for physical performance based on telomere length. RESULTS: Participants with low physical performance had significantly shorter telomeres (mean 4.14.44.7 kb, adjusted mean 3.54.04.5 kb, p <0.001), while those with high physical performance exhibited longer telomeres (mean 5.55.75.9 kb, adjusted mean 4.75.35.8 kb, p <0.001), with a medium-to-high telomere length effect size (d = 0.762). The odds of low physical activity increased 2.13.66.1-fold per kb of telomere attrition (adjOR 1.73.36.3, p <0.001). CONCLUSION: Decreased physical function is associated with shorter telomere length. Absolute telomere length presents a promising biomarker for distinguishing between healthy and unhealthy aging, warranting further investigation.

10.
bioRxiv ; 2024 Jun 08.
Artigo em Inglês | MEDLINE | ID: mdl-38895232

RESUMO

Accurate and unbiased reconstructions of neuronal morphology, including quantification of dendritic spine morphology and distribution, are widely used in neuroscience but remain a major roadblock for large-scale analysis. Traditionally, spine analysis has required labor-intensive manual annotation, which is prone to human error and impractical for large 3D datasets. Previous automated tools for reconstructing neuronal morphology and quantitative dendritic spine analysis face challenges in generating accurate results and, following close inspection, often require extensive manual correction. While recent tools leveraging deep learning approaches have substantially increased accuracy, they lack functionality and useful outputs, necessitating additional tools to perform a complete analysis and limiting their utility. In this paper, we describe Restoration Enhanced SPine And Neuron (RESPAN) analysis, a new comprehensive pipeline developed as an open-source, easily deployable solution that harnesses recent advances in deep learning and GPU processing. Our approach demonstrates high accuracy and robustness, validated extensively across a range of imaging modalities for automated dendrite and spine mapping. It also offers extensive visual and tabulated data outputs, including detailed morphological and spatial metrics, dendritic spine classification, and 3D renderings. Additionally, RESPAN includes tools for validating results, ensuring scientific rigor and reproducibility.

11.
Artigo em Inglês | MEDLINE | ID: mdl-38945298

RESUMO

OBJETIVE: In Europe, units with Dual-trained Neurovascular Surgeons (DTNS) skilled in both open neurosurgery (ON) and endovascular neurosurgery (EN) are scarce. For instance, in Spain, our unit is unique within the public health system, where all neurovascular procedures are carried out by DTNS. Our study aims to evaluate the evolution in treating ruptured intracranial aneurysms (rICAs) and assess the impact of this evolution on clinical outcomes. METHODS: A retrospective cohort study was performed on rICAs treated in our unit from October 2012 to June 2023. We reviewed clinical and radiological data to analyze the evolution of ON and EN over time, as well as their impact on patient outcomes. Univariate, multivariate, and mixed-effects models were utilized to discern temporal changes. RESULTS: The modified Fisher Scale (mFS) and the modified World Federation of Neurological Surgeons scale (mWFNS) showed strong correlation with the outcome at 6 months outcomes, both with p < 0.00001. However, the surgical intervention method, ON versus EN, did not significantly affect outcomes (p > 0.85). In adjusted multivariate logistic regression, mFS (-1.579, p: 0.011) and mWFNS (-0.872, p < 0.001) maintained their significance. rICAs location was significant when comparing ON to EN p = 0.0001. A significant temporal trend favored the selection of EN p = 0.0058). Mixed-effects time series modeling indicated that while patient characteristics and rICA specifics did not predict treatment choice, the year of treatment was significantly correlated (0.161, p = 0.002). Logistic regression with interaction terms for time and treatment type did not produce significant results. CONCLUSION: Our findings suggest that despite an increased adoption of EN techniques, there has been no change in patient outcomes. Even with the rise of EN, our unit continues to perform ON for a higher proportion of rICAs than most national hospitals. We propose that a "dual approach" offers advantages in a patient individualized treatment decision protocol in the European context.

12.
Healthcare (Basel) ; 12(12)2024 Jun 13.
Artigo em Inglês | MEDLINE | ID: mdl-38921304

RESUMO

Sarcopenia is defined by the presence of decreased skeletal muscle mass, strength, and functionality in older people. Multicomponent interventions represent an alternative to non-pharmacological treatment for preventing disease progression. This study aimed to evaluate the effects of a multicomponent intervention approach in women at risk of sarcopenia. METHODS: A quasi-experimental pilot study of 12 weeks was conducted, with 24 sessions of dancing and resistance exercises and 12 sessions of nutritional education. The outcomes were changes in muscle mass, grip strength, gait speed, and body composition. The project was registered on Clinical Trials: NCT06038500 (14 September 2023). RESULTS: Twelve women aged 55-75 years participated in this study; after the intervention, changes were found in the following variables: grip strength, from 18.70 (17.98-19.23) at baseline to 21.57 (20.67-23.16) kg (p = 0.002); gait speed, from 0.95 (0.81-1.18) at baseline to 1.34 (1.20-1.47) m/s (p = 0.003); and hip circumference, from 99.75 (94.75-110.37) at baseline to 97.65 (93.92-109.50) cm (p = 0.023). Other measurements that appeared without changes were appendicular skeletal muscle mass, from 21.17 (18.58-22.33) at baseline to 20.77 (18.31-22.39) kg (p = 0.875), and the appendicular skeletal muscle mass index, from 8.64 (8.08-9.35) at baseline to 8.81 (7.91-9.38) kg/m2 (p = 0.875) after the intervention. CONCLUSIONS: The three-month multicomponent intervention in women at risk of sarcopenia improved their grip strength and gait speed.

13.
Biofouling ; 40(5-6): 366-376, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38855912

RESUMO

This research introduces an Artificial Intelligence (AI) based model designed to concurrently optimize energy supply management, biocide dosing, and maintenance scheduling for heat exchangers. This optimization considers energetic, technical, economic, and environmental considerations. The impact of biofilm on heat exchangers is assessed, revealing a 41% reduction in thermal efficiency and a 113% increase in flow frictional resistance of the fluid compared to the initial state. Consequently, the pump's power consumption, required to maintain hydraulic conditions, rises by 9%. The newly developed AI model detects the point at which the heat exchanger's performance begins to decline due to accumulating dirt, marking day 44 of experimentation as the threshold to commence the antifouling biocide dosing. Leveraging this AI model to monitor heat exchanger efficiency represents an innovative approach to optimizing antifouling biocide dosing and reduce the environmental impact stemming from industrial plants.


Assuntos
Inteligência Artificial , Biofilmes , Incrustação Biológica , Desinfetantes , Água do Mar , Água do Mar/química , Biofilmes/efeitos dos fármacos , Incrustação Biológica/prevenção & controle , Modelos Teóricos
15.
Sci Rep ; 14(1): 11516, 2024 05 20.
Artigo em Inglês | MEDLINE | ID: mdl-38769123

RESUMO

This manuscript aims to study the reliability of different variables related to performance and acceleration during the golf putt in players with medium-to-high handicaps and to determine the number of attempts necessary to find reliable values for these variables. Eight males and two females [55.67 (13.64) years, 78.4 (11.4) kg, 1.75 (7.95) m] participated in two experimental sessions separated by one week. In these sessions, they performed three blocks of 10 putts trying to stop the golf ball at the center of a dartboard painted 2 m away. The performance was assessed depending on the area of the dartboard where the ball stopped, and the acceleration signals were acquired using the Xsens Dot. The results showed that to evaluate performance, 18 trials were necessary to reach reliable values using the 0-10 scoring system, and 28 trials were necessary for the 0-3 scoring system. Regarding the reliability of the accelerometer-related variables, 7 attempts were necessary to obtain good-to-excellent reliability values for most of the variables. It could be concluded that putting in medium-to-high handicap golf players can be reliably measured using the abovementioned protocol.


Assuntos
Desempenho Atlético , Golfe , Humanos , Masculino , Feminino , Reprodutibilidade dos Testes , Desempenho Atlético/fisiologia , Adulto , Pessoa de Meia-Idade , Idoso , Aceleração
16.
Front Sports Act Living ; 6: 1360123, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38803419

RESUMO

Physical Education has had to evolve and change throughout history to adapt to the demands of society. As a result, teachers have had to seek pedagogical alternatives to ensure that students are active, motivated, and engaged in the classroom. This approach allows for the development of motor, cognitive, and socio-emotional skills in students, ultimately contributing to the holistic development of the individual, which is the primary goal of education. Out of this intrinsic need for Physical Education, Alternative Sports have emerged, providing opportunities for different types of learning compared to more traditional sports. Cornerball, a hybrid between split-court and wall-based sports, played in a somewhat unique playing area-a 90° corner, is introduced with the aim of offering a new Alternative Sport. The objective of this descriptive study is to present a new pedagogical proposal designed for the educational context, highlighting its characteristics and fundamental aspects to consider, such as rules, the playing field, participants, and methodological strategies for its implementation within a Physical Education classroom. Therefore, the aims and purposes of this work are to describe a new sports game so that in the future, more detailed and specific empirical studies can be proposed.

17.
Adv Mater ; 36(30): e2402369, 2024 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-38794859

RESUMO

Computational chemistry is an indispensable tool for understanding molecules and predicting chemical properties. However, traditional computational methods face significant challenges due to the difficulty of solving the Schrödinger equations and the increasing computational cost with the size of the molecular system. In response, there has been a surge of interest in leveraging artificial intelligence (AI) and machine learning (ML) techniques to in silico experiments. Integrating AI and ML into computational chemistry increases the scalability and speed of the exploration of chemical space. However, challenges remain, particularly regarding the reproducibility and transferability of ML models. This review highlights the evolution of ML in learning from, complementing, or replacing traditional computational chemistry for energy and property predictions. Starting from models trained entirely on numerical data, a journey set forth toward the ideal model incorporating or learning the physical laws of quantum mechanics. This paper also reviews existing computational methods and ML models and their intertwining, outlines a roadmap for future research, and identifies areas for improvement and innovation. Ultimately, the goal is to develop AI architectures capable of predicting accurate and transferable solutions to the Schrödinger equation, thereby revolutionizing in silico experiments within chemistry and materials science.

18.
Tissue Cell ; 88: 102391, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38657320

RESUMO

INTRODUCTION: BioRoot Flow (BRF) is a novel premixed bioceramic sealer indicated for endodontic treatments, but the biological and immunomodulatory effects of this endodontic sealer on human periodontal ligament stem cells (hPDLSCs) have not been elucidated. METHODS: To ascertain the biological impact of BRF, TotalFill BC Sealer (TFbc), and AH Plus (AHP) on human Periodontal Ligament Stem Cells (hPDLSCs), assessments were conducted to evaluate the cytocompatibility, cellular proliferation, migratory capacity, osteo/cementogenic differentiation potential, the ability to form mineralized nodules, and the immunomodulatory characteristics of hPDLSCs following treatment with these endodontic sealers. RESULTS: Biological assays showed adequate cell metabolic activity and cell migration in BRF, while SEM assay evidenced that TFbc and BRF groups demonstrated a superior cell adhesion process, including substrate adhesion, cytoskeleton development, and spreading on the niche-like structures of the cement as compared to the AHP group. TFbc and BRF-treated groups exhibited a significantly lower IL6 and IL8 production than AHP (* p <.05). The bioceramic sealers stimulated heightened expression of BSP, CEMP-1, and CAP genes within a 7-14 day period. Notably, BRF and TFbc demonstrated a significant enhancement in the mineralization of hPDLSCs when compared to the negative control. Among these, cells treated with BRF showed a more substantial accumulation of calcium (*** p < .001). CONCLUSIONS: Taken together, these findings indicate that BRF can potentially enhance cell differentiation by promoting the expression of essential genes related to bone and cement formation. In addition, BRF and TFbc displayed anti-inflammatory effects.


Assuntos
Anti-Inflamatórios , Diferenciação Celular , Humanos , Diferenciação Celular/efeitos dos fármacos , Anti-Inflamatórios/farmacologia , Materiais Restauradores do Canal Radicular/farmacologia , Ligamento Periodontal/citologia , Ligamento Periodontal/efeitos dos fármacos , Ligamento Periodontal/metabolismo , Células-Tronco/efeitos dos fármacos , Células-Tronco/metabolismo , Proliferação de Células/efeitos dos fármacos , Cerâmica/farmacologia , Materiais Biocompatíveis/farmacologia , Materiais Biocompatíveis/química , Movimento Celular/efeitos dos fármacos , Adesão Celular/efeitos dos fármacos
19.
Rev Alerg Mex ; 71(1): 12-22, 2024 Jan 02.
Artigo em Espanhol | MEDLINE | ID: mdl-38683064

RESUMO

OBJETIVO: Determinar la carga económica anual del asma, desde una perspectiva institucional y con base en la clasificación recomendada por GINA, en una cohorte retrospectiva de adultos atendidos en el Instituto Nacional de Enfermedades Respiratorias (INER) de México. MÉTODOS: Estudio observacional, longitudinal y retrospectivo, llevado a cabo a partir de la información recabada de 247 pacientes femeninas con asma. Se estimaron los costos directos anuales: visitas, pruebas de laboratorio, tratamiento farmacológico y de las crisis o exacerbaciones, para determinar la carga anual de la enfermedad desde una perspectiva institucional, y según la clasificación de la Iniciativa Global para el Asma. RESULTADOS: El costo promedio anual fue de $43,813,92, que aumentó en relación con la necesidad de aumento de dosis de corticoides inhalados y beta-agonistas de acción prolongada. El costo promedio de la consulta médica fue de $2004.57, $982.82 por gestión de crisis y $2645.95 por pruebas de laboratorio. El tratamiento farmacológico representó la principal carga económica, con un costo promedio anual de $38,180.58. CONCLUSIONES: Los resultados resaltan una carga económica del asma estimada en un costo anual por paciente de $43,813.92 MXN (DE=93,348.85), en el contexto del tercer nivel de atención en el sistema de salud público mexicano. La gravedad del asma, los tratamientos y los biológicos fueron los principales factores que aumentaron los costos directos de la atención.


OBJECTIVE: Determine the annual economic burden of the disease from an institutional perspective and based on GINA's recommended classification in a retrospective cohort of adults treated at Instituto Nacional de Enfermedades Respiratorias (INER) of Mexico City. METHODS: A retrospective, longitudinal observational study comprised by data from 247 female asthma patients, annual direct costs were estimated including: visits, laboratory tests, pharmacological treatment and management of crisis or exacerbations, to determine the annual burden of the disease from an institutional perspective and according to Global Initiative for Asthma classification. RESULTS: The average annual cost was $43,813.92, which increased in relation to the need of inhaled corticosteroids and long-acting beta agonists dosage increase. The average doctor's appointment cost was $2,004.57, $982.82 for crisis management and $2,645.95 for laboratory testing. Pharmacological treatment represented the main economic burden with an annual average cost of $38,180.58. CONCLUSIONS: The results highlight an economic burden of asthma estimated at an annual cost per patient of $43,813.92 MXN (SD=93,348.85) in the context of the third level of care in the Mexican public health system. The asthma severity and treatments such as biologics were the main factors that increased direct costs of care.


Assuntos
Asma , Efeitos Psicossociais da Doença , Humanos , Asma/economia , Asma/tratamento farmacológico , Asma/terapia , México , Estudos Retrospectivos , Feminino , Adulto , Pessoa de Meia-Idade , Estudos Longitudinais , Academias e Institutos/economia , Adulto Jovem , Adolescente , Idoso
20.
Pharmaceutics ; 16(4)2024 Apr 09.
Artigo em Inglês | MEDLINE | ID: mdl-38675182

RESUMO

The aim of this study was to assess the influence of eucalyptol and menthol on the cell viability, migration, and reactive oxygen species production of human gingival fibroblasts (GFs) in vitro. Three different concentrations of eucalyptol and menthol were prepared following ISO 10993-5 guidelines (1, 5, and 10 mM). GFs were isolated from extracted teeth from healthy donors. The following parameters were assessed: cell viability via MTT, Annexin-V-FITC and 7-AAD staining, and IC50 assays; cell migration via horizontal scratch wound assay; and cell oxidative stress via reactive oxygen species assay. Data were analyzed using one-way ANOVA and Tukey's post hoc test. Statistical significance was established at p < 0.05. Eucalyptol and Menthol exhibited high cytotoxicity on gingival fibroblasts, as evidenced by cytotoxicity assays. Eucalyptol showed lower levels of cytotoxicity than menthol, compared to the control group. The cytotoxicity of the tested substances increased in a concentration-dependent manner. The same occurred in a time-dependent manner, although even 10 min of exposure to the tested substances showed a high cytotoxicity to the GFs. Commercially available products for oral application with these substances in their composition should be tested for cytotoxicity before their use.

SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA