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1.
Eur J Med Chem ; 268: 116229, 2024 Mar 15.
Artigo em Inglês | MEDLINE | ID: mdl-38430852

RESUMO

Betel-quid chewing addiction is the leading cause of oral submucous fibrosis and oral cancer, resulting in significant socio-economic burdens. Vaccination may serve as a promising potential remedy to mitigate the abuse and combat accidental overdose of betel nut. Hapten design is the crucial factor to the development of arecoline vaccine that determines the efficacy of a candidate vaccine. Herein, we reported that two kinds of novel arecoline-based haptens were synthesized and conjugated to Bovine Serum Albumin (BSA) to generate immunogens, which generated antibodies with high affinity for arecoline but reduced binding for guvacoline and no affinity for arecaidine or guvacine. Notably, vaccination with Arec-N-BSA, which via the N-position on the tetrahydropyridine ring (tertiary amine group), led to a higher antibody affinity compared to Arec-CONH-BSA, blunted analgesia and attenuated hypothermia for arecoline.


Assuntos
Arecolina , Transtornos Relacionados ao Uso de Substâncias , Arecolina/farmacologia , Arecolina/metabolismo , Vacinas Conjugadas , Areca/metabolismo
2.
Food Chem ; 416: 135776, 2023 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-36889015

RESUMO

α-Tocopherol, as an oil-soluble vitamin with strong antioxidant activity. It is the most naturally abundant and biologically active form of vitamin E in humans. In this study, a novel emulsifier (PG20-VES) was synthesized by attaching hydrophilic twenty-polyglycerol (PG20) to hydrophobic vitamin E succinate (VES). This emulsifier was shown to have a relatively low critical micelle concentration (CMC = 3.2 µg/mL). The antioxidant activities and emulsification properties of PG20-VES were compared with those of a widely used commercial emulsifier: D-α-Tocopherol polyethylene glycol 1000 succinate (TPGS). PG20-VES exhibited a lower interfacial tension, stronger emulsifying capacity and similar antioxidant property to TPGS. An in vitro digestion study showed that lipid droplets coated by PG20-VES were digested under simulated small intestine conditions. This study showed that PG20-VES is an efficient antioxidant emulsifier, which may have applications in the formulation of bioactive delivery systems in the food, supplement, and pharmaceutical industries.


Assuntos
Antioxidantes , alfa-Tocoferol , Humanos , Antioxidantes/química , alfa-Tocoferol/química , Emulsões , Vitamina E/química , Polímeros , Polietilenoglicóis/química , Emulsificantes/química
3.
PeerJ Comput Sci ; 7: e450, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-33834111

RESUMO

The Kmeans clustering and spectral clustering are two popular clustering methods for grouping similar data points together according to their similarities. However, the performance of Kmeans clustering might be quite unstable due to the random initialization of the cluster centroids. Generally, spectral clustering methods employ a two-step strategy of spectral embedding and discretization postprocessing to obtain the cluster assignment, which easily lead to far deviation from true discrete solution during the postprocessing process. In this paper, based on the connection between the Kmeans clustering and spectral clustering, we propose a new Kmeans formulation by joint spectral embedding and spectral rotation which is an effective postprocessing approach to perform the discretization, termed KMSR. Further, instead of directly using the dot-product data similarity measure, we make generalization on KMSR by incorporating more advanced data similarity measures and call this generalized model as KMSR-G. An efficient optimization method is derived to solve the KMSR (KMSR-G) model objective whose complexity and convergence are provided. We conduct experiments on extensive benchmark datasets to validate the performance of our proposed models and the experimental results demonstrate that our models perform better than the related methods in most cases.

4.
Chemosphere ; 253: 126683, 2020 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-32278920

RESUMO

In this study, the distribution and migration of 237Np and 239+240Pu in soils in the vicinity (<5 km) of Qinshan and Tianwan Nuclear Power Plants in China were studied, which is the first specific study of global fallout 237Np in Chinese soils. The 237Np and 239+240Pu concentrations in surface soils showed large spatial inhomogeneity. A remarkable 239+240Pu concentration (4.783 mBq/g) was observed in a surface soil near Qinshan NPP and stands for the ever reported highest value in the Chinese soils. The inventories of 239+240Pu in two Qinshan and Tianwan soil cores were estimated to be 128.8 Bq/m2 and 121.0 Bq/m2, respectively; while the 237Np inventories were 0.039 Bq/m2 and 0.035 Bq/m2 at these sites, respectively. The 240Pu/239Pu atomic ratios in these soils indicated that the global fallout is the main source of Pu in these regions. However, the non-isotopic 237Np/239Pu atomic ratio in environmental soil is not a sensitive indicator for source identification. Furthermore, we conducted pilot study on the migration behaviors of 237Np and 239+240Pu in soil core at Qinshan site with the Convection-Dispersion Equation (CDE) model. The obtained apparent dispersion coefficients of 237Np (2.82 ± 2.06 cm2/y) was 5 times higher than that of 239+240Pu (0.57 ± 0.16 cm2/y), proving that 237Np has stronger migration ability than Pu isotopes in the Qinshan soil. Finally, we predicted that with the increase of migration time, both 237Np and 239+240Pu concentration in the soil will gradually become more evenly distributed among different soil layers due to the dominant dispersion effects.


Assuntos
Netúnio/análise , Monitoramento de Radiação , Cinza Radioativa/análise , Poluentes Radioativos do Solo/análise , China , Centrais Nucleares , Projetos Piloto , Plutônio/análise , Solo
5.
Chemosphere ; 212: 1002-1009, 2018 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-30286529

RESUMO

The vertical distributions and downward migrations of the global fallout derived 239+240Pu and 241Am in diverse types of Chinese soils (forest, grassland and desert) were studied. The mean 239+240Pu and 241Am activity concentrations in the investigated soil cores were 0.28-0.69 mBq/g and 0.13-0.37 mBq/g, respectively, while the accumulative inventories were 61.53-138.99 Bq/m2 for 239+240Pu and 28.29-61.05 Bq/m2 for 241Am. The convection-dispersion equation (CDE) was used to calculate the migration parameters of 239+240Pu and higher apparent dispersion coefficients (D) were observed for the acidic forest soils compared with the alkaline grassland and desert soils; meanwhile a compartment model was employed to compare the migration of 239+240Pu and 241Am in successive soil layers which showed that the migration behaviors of 239+240Pu and 241Am were rather similar; both velocities were less than 0.3 cm/y in diverse types of soils and these findings were compatible with those of short-term laboratory simulation experiments in China.


Assuntos
Amerício/análise , Plutônio/análise , Cinza Radioativa/análise , Poluentes Radioativos do Solo/análise , China , Florestas , Pradaria , Monitoramento de Radiação , Solo
6.
Phys Chem Chem Phys ; 16(14): 6560-7, 2014 Apr 14.
Artigo em Inglês | MEDLINE | ID: mdl-24434942

RESUMO

Oxidation-induced decomposition reactions of the representative complexes of propylene carbonate (PC)-based electrolytes were investigated using density functional theory (DFT) and a composite G4MP2 method. The cluster-continuum approach was used, where the oxidized PCn cluster was surrounded by the implicit solvent modeled via a polarized continuum model (PCM). The oxidative stability of the PCn (n = 2, 3, and 4) complexes was found to be around 5.4-5.5 V vs. Li(+)/Li, which is not only lower than the stability of an isolated PC but also lower than the stability of the PC-PF6(-), PC-BF4(-) or PC-ClO4(-) complexes surrounded by the implicit solvent. The oxidation-induced decomposition reactions were studied. The decomposition products of the oxidized PC2 contained CO2, acetone, propanal, propene, and carboxylic acid in agreement with the previous experimental studies.

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