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1.
Nanomicro Lett ; 16(1): 138, 2024 Feb 29.
Artigo em Inglês | MEDLINE | ID: mdl-38421464

RESUMO

Zinc-air batteries (ZABs) are gaining attention as an ideal option for various applications requiring high-capacity batteries, such as portable electronics, electric vehicles, and renewable energy storage. ZABs offer advantages such as low environmental impact, enhanced safety compared to Li-ion batteries, and cost-effectiveness due to the abundance of zinc. However, early research faced challenges due to parasitic reactions at the zinc anode and slow oxygen redox kinetics. Recent advancements in restructuring the anode, utilizing alternative electrolytes, and developing bifunctional oxygen catalysts have significantly improved ZABs. Scientists have achieved battery reversibility over thousands of cycles, introduced new electrolytes, and achieved energy efficiency records surpassing 70%. Despite these achievements, there are challenges related to lower power density, shorter lifespan, and air electrode corrosion leading to performance degradation. This review paper discusses different battery configurations, and reaction mechanisms for electrically and mechanically rechargeable ZABs, and proposes remedies to enhance overall battery performance. The paper also explores recent advancements, applications, and the future prospects of electrically/mechanically rechargeable ZABs.

2.
Environ Res ; 239(Pt 1): 117354, 2023 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-37821071

RESUMO

The impact of air pollution in Chennai metropolitan city, a southern Indian coastal city was examined to predict the Air Quality Index (AQI). Regular monitoring and prediction of the Air Quality Index (AQI) are critical for combating air pollution. The current study created machine learning models such as XGBoost, Random Forest, BaggingRegressor, and LGBMRegressor for the prediction of the AQI using the historical data available from 2017 to 2022. According to historical data, the AQI is highest in January, with a mean value of 104.6 g/gm, and the lowest in August, with a mean AQI value of 63.87 g/gm. Particulate matter, gaseous pollutants, and meteorological parameters were used to predict AQI, and the heat map generated showed that of all the parameters, PM2.5 has the greatest impact on AQI, with a value of 0.91. The log transformation method is used to normalize datasets and determine skewness and kurtosis. The XGBoost model demonstrated strong performance, achieving an R2 (correlation coefficient) of 0.9935, a mean absolute error (MAE) of 0.02, a mean square error (MSE) of 0.001, and a root mean square error (RMSE) of 0.04. In comparison, the LightGBM model's prediction was less effective, as it attained an R2 of 0.9748. According to the study, the AQI in Chennai has been increasing over the last two years, and if the same conditions persist, the city's air pollution will worsen in the future. Furthermore, accurate future air quality level predictions can be made using historical data and advanced machine learning algorithms.


Assuntos
Poluentes Atmosféricos , Poluição do Ar , Mudança Climática , Índia , Aprendizado de Máquina
3.
Sci Rep ; 13(1): 3199, 2023 02 23.
Artigo em Inglês | MEDLINE | ID: mdl-36823294

RESUMO

In this study, four new Mn(II), Fe(III), and Cr(III) complexes with two Schiff base ligands namely, 4-bromo-2-[(E)-{[4-(2-hydroxyethyl)phenyl]imino}methyl]phenol (HL1) and 2-[(E)-{[4-(2-hydroxyethyl)phenyl]imino}methyl]-4-methoxy phenol (HL2) have been synthesized and characterized. Different analytical and spectral methods have been used to characterize the ligands and their complexes. General formulas of [M(L)Cl2(H2O)2] for FeL1, CrL1 and CrL2, and [M(L)Cl(H2O)3] for MnL2 were proposed. HOMO and LUMO energies, as well as the electrical characteristics, have been calculated using DFT/B3LYP calculations with Gaussian 09 program. The optimized lowest energy configurations of the complexes are proven. The disc diffusion technique was used to test the pharmacological activities' antibacterial efficacy against diverse bacterial and fungus species. The MTT technique was used to assess the in vitro cytotoxicity of the ligands and their metal complexes on the Hep-G2 human liver carcinoma cell line and the MCF-7 human breast cancer cell line. All compounds displayed better activity compared to the free ligands. MnL2 complex showed predominant activity when compared to the other complexes with an IC50 value of 2.6 ± 0.11 µg/ml against Hep-G2, and against MCF-7 the IC50 value was 3.0 ± 0.2 µg/ml which is less than the standard drug cisplatin (4.0 µg/ml). UV-vis electronic spectrum and gel electrophoresis techniques have been used to investigate the compounds' affinity to bind and cleavage CT-DNA. The interaction's binding constants, or Kb, have been identified, and it was discovered that the new complexes' binding affinities are in the order of FeL1 > MnL2 > CrL2 > CrL1, and the binding mechanism has been suggested. To assess the kind of binding and binding affinity of the investigated drugs with human DNA, a molecular docking study was carried out (PDB:1bna). The acquired results supported the intercalation binding mechanism proposed in the experimental part and revealed that complexes may be inserted into the DNA molecule to stop DNA replication. According to ADMET data, the synthesized compounds have a high bioavailability profile and their physicochemical and pharmacological features remained within Lipinski's RO5 predicted limitations.


Assuntos
Anti-Infecciosos , Antineoplásicos , Complexos de Coordenação , Humanos , Bases de Schiff/farmacologia , Bases de Schiff/química , Compostos Férricos , Simulação de Acoplamento Molecular , Testes de Sensibilidade Microbiana , Anti-Infecciosos/farmacologia , Anti-Infecciosos/química , Complexos de Coordenação/farmacologia , Complexos de Coordenação/química , DNA/metabolismo , Ligantes , Antineoplásicos/farmacologia , Antineoplásicos/química
4.
Pharmaceuticals (Basel) ; 14(6)2021 May 26.
Artigo em Inglês | MEDLINE | ID: mdl-34073459

RESUMO

In this study, a platinum(II) complex ([Pt(H2L)(PPh3)] complex) containing a thiocarbohydrazone as the ligand was tested as an anti-proliferative agent against ovarian adenocarcinoma (Caov-3) and human colorectal adenocarcinoma (HT-29) through MTT assays. Apoptotic markers were tested by the AO/PI double staining assay and DNA fragmentation test. Flow cytometry was conducted to measure cell cycle distribution, while the p53 and caspase-8 pathways were tested via immunofluorescence assay. Results demonstrated that the cytotoxic effect of the Pt(II)-thiocarbohydrazone complexes against Caov-3 and HT-29 cells was highly significant, and this effect triggered the activation of the p53 and caspase-8 pathways. Besides, apoptosis stimulated by the Pt(II)-thiocarbohydrazone complex was associated with cell cycle arrest at the G0/G1 phase. These findings suggest that the target complex inhibited the proliferation of Caov-3 and HT-29 cells, resulting in the arrest of the cell cycle and induction of apoptosis via the stimulation of the p53 and caspase-8 pathways. The present data suggests that the Pt(II)-thiocarbohydrazone complex could also be a promising chemotherapeutic agent for other types of cancer cells.

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