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1.
ACS Nano ; 18(21): 13794-13807, 2024 May 28.
Artigo em Inglês | MEDLINE | ID: mdl-38741414

RESUMO

Gout flare-up, commonly resulting from monosodium urate monohydrate (MSUM) crystallization, has led to painful inflammatory arthritis among hundreds of millions of people. Herein, a kind of hydrogel nanoparticles (HNPs) with specific properties was developed, aimed at providing a promising pathway for MSUM crystallization control. The experimental and molecular dynamics simulation results synchronously indicate that the fabricated HNPs achieve efficient inhibition of MSUM crystallization governed by the mechanism of "host-guest interaction" even under very low-dose administration. HNPs as the host dispersed in the hyperuricemic model effectively lift the relative heterogeneous nucleation barrier of the MSUM crystal and hinder solute aggregation with strong electronegativity and hydrophobicity. The initial appearance of MSUM crystals was then delayed from 94 to 334 h. HNPs as the guest on the surface of the formed crystal can decelerate the growth rate by anchoring ions and occupying the active sites on the surface, and the terminal yield of the MSUM crystal declined to less than 1% of the control group. The good biocompatibility of HNPs (cell viability > 94%) renders it possible for future clinical applications. This study can guide the rational design of inhibitory nanomaterials and the development of their application in the control of relevant pathological crystallization.


Assuntos
Cristalização , Hidrogéis , Simulação de Dinâmica Molecular , Nanopartículas , Ácido Úrico , Ácido Úrico/química , Hidrogéis/química , Nanopartículas/química , Animais , Sobrevivência Celular/efeitos dos fármacos , Camundongos , Tamanho da Partícula , Íons/química , Propriedades de Superfície
2.
ACS Appl Mater Interfaces ; 16(1): 476-484, 2024 Jan 10.
Artigo em Inglês | MEDLINE | ID: mdl-38155099

RESUMO

Antisolvent engineering is routinely used to modulate the crystallization of perovskite films as they can offer an additional driving force for nucleation. Actually, the intervention of antisolvent into nucleation is thought to involve some relatively fast and complex processes, which, however, are not fully understood so far. Here, the diffusion of the organic amine cation FA+ (one dominated precursor) and its distribution in a spin-coating process in different antisolvents is simulated by the computational fluid dynamics (CFD) model. It is suggested that a moderate diffusion rate (like that in the case of toluene as an antisolvent) not only enables to form a very uniform distribution of FA+ ions on the substrate, beneficial to the uniform nucleation of the intermediate phase, but also can balance the nucleation and growth rates of the intermediate phase, thereby suppressing undesired heterogeneous nucleation and growth. Results show that the perovskite film fabricated using toluene as an antisolvent has a high quality, based on which higher power conversion efficiencies of up to 24.32% are achieved for perovskite solar cells.

3.
J Colloid Interface Sci ; 648: 365-375, 2023 Oct 15.
Artigo em Inglês | MEDLINE | ID: mdl-37301161

RESUMO

Herein, a facile bionic research platform with fabricated hydrogel composite membrane (HCM) is constructed to uncover the effects of the main components of coffee's metabolites on MSUM crystallization. Tailored and biosafety polyethylene glycol diacrylate/N-isopropyl acrylamide (PEGDA/NIPAM) HCM allows the proper mass transfer of coffee's metabolites and can well simulate the process of coffee's metabolites acting in the joint system. With the validations of this platform, it is shown that chlorogenic acid (CGA) can hinder the MSUM crystals formation from 45 h (control group) to 122 h (2 mM CGA), which is the most likely reason that reduces the risk of gout after long-term coffee consumption. Molecular dynamics simulation further indicates that the high interaction energy (Eint) between CGA and MSUM crystal surface and the high electronegativity of CGA both contribute to the restraint of MSUM crystal formation. In conclusion, the fabricated HCM, as the core functional materials of the research platform, presents the understanding of the interaction between coffee consumption and gout control.


Assuntos
Gota , Ácido Úrico , Humanos , Ácido Úrico/química , Café , Hidrogéis , Cristalização , Gota/metabolismo
4.
Foods ; 11(18)2022 Sep 09.
Artigo em Inglês | MEDLINE | ID: mdl-36140913

RESUMO

With the development of Agriculture 4.0, the requirements for sustainable agriculture and precision agriculture continue to grow. As one of the three major staple foods globally, the quality and safety of rice affect human health as well as social development. To ensure the quality and safety of rice and reduce the flow of problematic rice, a multi-layer blockchain-based rice supply chain refinement supervision model MBRRSM (Multi-blockchain Rice Refined Supervision Model) is proposed from the information level. First, the characteristics of information flow in the rice supply chain are analyzed, and a classification table of key information is constructed. Second, the MBRRSM framework is designed. Based on a multi-party hybrid encryption algorithm, secure multi-party computing algorithm, multi-mode storage mechanism, and SPOP (Supervision Proof of Peers) consensus algorithm, a set of mechanisms is designed for the transmission, use, storage, and consensus of rice data in MBRRSM. Subsequently, the security and performance capabilities of MBRRSM are analyzed. Meanwhile, the SPOP consensus algorithm is analyzed. Finally, a prototype system is built based on MBRRSM and verified through exemplary scenarios in different usage situations. The results show that research on the refined supervision of the rice supply chain based on multi-blockchain can finely supervise all types of data in the rice supply chain, and provide a guarantee for enterprise users to safely transmit and use data with different privacy levels. This study presents a unique research paradigm that introduces the theories and methods of the new information field generation into the field of agricultural research, and thus assists in the strategy implementation of "holding grain in the land and storing grain in technology".

5.
ACS Med Chem Lett ; 11(10): 1863-1868, 2020 Oct 08.
Artigo em Inglês | MEDLINE | ID: mdl-33062165

RESUMO

The identification and lead optimization of a series of pyrazolo[3,4-d]pyridazinone derivatives are described as a novel class of potent irreversible BTK inhibitors, resulting in the discovery of compound 8. Compound 8 exhibited high potency against BTK kinase and acceptable PK profile. Furthermore, compound 8 demonstrated significant in vivo efficacy in a mouse-collagen-induced arthritis (CIA) model.

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