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1.
Heliyon ; 10(9): e30612, 2024 May 15.
Artigo em Inglês | MEDLINE | ID: mdl-38742057

RESUMO

Chronic obstructive pulmonary disease (COPD) is a major cause of morbidity and healthcare burden worldwide. The progression of COPD is a combination of genetic predisposition and environmental factors, primarily cigarette smoking, and the underlying mechanisms are still unknown. Intestinal microecology impacts host immunity, metabolism, and resistance to pathogenic infections, which may be involved in pulmonary disease. Moreover, substantial interaction occurs between the intestinal and respiratory immune niches. After reviewing nearly 500 articles, we found the gut-lung axis plays an important role in the development of COPD. COPD patients often have dysbiosis of the intestinal microenvironment, which can affect host immunity through a series of mechanisms, exacerbating or protecting against COPD progression. This paper summarizes how the gut-lung axis influences COPD, including the alterations of intestinal microecology, the pathological mechanisms, and the involved immune responses. Finally, we summarize the latest research advances in COPD treatment from the perspective of regulating the gut-lung axis and intestinal immunity and evaluate the potential value of the gut-lung axis in improving COPD prognosis.

2.
J Hazard Mater ; 454: 131541, 2023 07 15.
Artigo em Inglês | MEDLINE | ID: mdl-37146326

RESUMO

Aromatic amines, one of the most widely used low-cost antioxidants in rubbers, have been regarded as pollutants with human health concerns. To overcome this problem, this study developed a systematic molecular design, screening, and performance evaluation method to design functionally improved, environmentally friendly and synthesizable aromatic amine alternatives for the first time. Nine of 33 designed aromatic amine derivatives have improved antioxidant property (lower bond dissociation energy of N-H), and their environmental and bladder carcinogenicity impacts were evaluated through toxicokinetic model and molecular dynamics simulation. The environmental fate of the designed AAs-11-8, AAs-11-16, and AAs-12-2 after antioxidation (i.e., peroxyl radicals (ROO·), hydroxyl radicals (HO·), superoxide anion radicals (O2·-) and ozonation reaction) was also analyzed. Results showed that the by-products of AAs-11-8 and AAs-12-2 have less toxicity after antioxidation. In addition, human bladder carcinogenicity of the screened alternatives was also evaluated through adverse outcome pathway. The carcinogenic mechanisms were analyzed and verified through amino acid residue distribution characteristics, 3D-QSAR and 2D-QSAR models. AAs-12-2, with high antioxidation property, low environmental impacts and carcinogenicity, was screened as the optimum alternative for 3,5-Dimethylbenzenamine. This study provided theoretical support for designing environmentally friendly and functionally improved aromatic amine alternatives from toxicity evaluation and mechanism analysis.


Assuntos
Rotas de Resultados Adversos , Carcinógenos , Humanos , Carcinógenos/toxicidade , Carcinógenos/química , Toxicocinética , Aminas/toxicidade , Aminas/química , Radical Hidroxila
3.
Aquat Toxicol ; 260: 106587, 2023 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-37236119

RESUMO

Tire antioxidants are essential functional chemical additives in tire rubber production. Because of the characteristic easy precipitation in the water environment, the environmental pollution problem caused by tire antioxidants is concerning. To reveal the mechanism by which tire antioxidants reduce common oxidative factors (free radicals) in the environment and to control the potential biological thyroid hormone disorder risk of tire antioxidant derivatives, eight commonly used antioxidants in tire production were selected for analysis. Firstly, the ability of tire antioxidants to reduce three different free radicals was quantitatively characterized based on Gaussian calculation method and inferring the radical reduction mechanism of tire antioxidants. Moreover, using the PaDEL-Descriptor software and random forest algorithm found that the N-octanol/water partition coefficient, a structure descriptor of tire antioxidant molecules, significantly correlated with their reducing ability. Second, molecular docking and molecular dynamics methods were used to assess the thyroid hormone disorder risk to aquatic organisms of eight antioxidants after reducing three free radicals. And this is the first study to construct an assessment score list of potential thyroid hormone disorder risk of the derivatives of tire antioxidants after reducing free radicals to marine and freshwater aquatic organisms based on the risk entropy method. Through the screening of this list, it was found that the derivative of the antioxidant 2,2,4-trimethyl-1,2-dihydroquinoline oxidized by free radicals had the highest risk of thyroid hormone disorder. In addition, the top organism in the aquatic food chain was the most affected. This study also revealed that van der Waals interactions and hydrogen bonding were the main influencing factors of thyroid hormone disorder risk to aquatic organisms of the derivatives of tire antioxidants that reduce free radicals based on amino acid residue analysis. Overall, the results provide theoretical support for the selection of antioxidants and the avoidance and control of environmental risks in the tire rubber production process.


Assuntos
Antioxidantes , Poluentes Químicos da Água , Borracha/química , Organismos Aquáticos , Cadeia Alimentar , Simulação de Acoplamento Molecular , Poluentes Químicos da Água/toxicidade , Radicais Livres , Hormônios Tireóideos , Água Doce , Água
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