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1.
Dalton Trans ; 52(43): 15822-15830, 2023 Nov 07.
Artigo em Inglês | MEDLINE | ID: mdl-37817539

RESUMO

Reasonably combining the strengths of insertion and conversion anode materials to create an advanced anode material remains a formidable challenge for rechargeable lithium-ion batteries (LIBs). In this work, bulk MoS2 embedded with T-Nb2O5 nanospheres was synthesized via a simple hydrothermal process and a polydopamine carbon source was introduced by heat treatment. The design strategy can effectively accelerate the charge transfer and reduce the volume expansion during electrochemical cycling, leading to an improvement in lithium storage performance. As a consequence, the coexistence of T-Nb2O5, MoS2 and C can achieve the best synergistic effect when the molar ratio of Nb and Mo sources was 1 : 1. Notably, the T-Nb2O5@MoS2@C-1-1 electrode not only delivered an excellent reversible capacity of 518 mA h g-1 at a current density of 0.1 A g-1 but also exhibited superb cycling stability. The specific capacity of this electrode maintained 187 mA h g-1 at 2 A g-1 after 1000 cycles with a negligible capacity fading rate of only 0.015% per cycle.

2.
Brief Bioinform ; 24(3)2023 05 19.
Artigo em Inglês | MEDLINE | ID: mdl-37122066

RESUMO

Peptide-major histocompatibility complex I (MHC I) binding affinity prediction is crucial for vaccine development, but existing methods face limitations such as small datasets, model overfitting due to excessive parameters and suboptimal performance. Here, we present STMHCPan (STAR-MHCPan), an open-source package based on the Star-Transformer model, for MHC I binding peptide prediction. Our approach introduces an attention mechanism to improve the deep learning network architecture and performance in antigen prediction. Compared with classical deep learning algorithms, STMHCPan exhibits improved performance with fewer parameters in receptor affinity training. Furthermore, STMHCPan outperforms existing ligand benchmark datasets identified by mass spectrometry. It can also handle peptides of arbitrary length and is highly scalable for predicting T-cell responses. Our software is freely available for use, training and extension through Github (https://github.com/Luckysoutheast/STMHCPan.git).


Assuntos
Algoritmos , Peptídeos , Alelos , Peptídeos/química , Ligação Proteica , Software
3.
Materials (Basel) ; 17(1)2023 Dec 24.
Artigo em Inglês | MEDLINE | ID: mdl-38203954

RESUMO

Titanium alloys are widely used in various structural materials due to their lightweight properties. However, the low wear resistance causes significant economic losses every year. Therefore, it is necessary to implement wear-resistant protection on the surface of titanium alloys. In this study, four types of in situ composite ceramic coatings with two-layer gradient structures were prepared on a Ti-6Al-4V (TC4) substrate using laser cladding. In order to reduce the dilution rate, a transition layer (Ti-40SiC (vol.%)) was first prepared on TC4 alloy. Then, a high-volume-fraction in situ composite ceramic working layer (Ti-xFe-80SiC (vol.%)) with different contents of Fe-based alloy powder (x = 0, 5, 10 and 15 vol.%) was prepared. The working surface of Ti-40SiC (TL) exhibited a typical XRD pattern of Ti, TiC, Ti5Si3, and Ti3SiC2. In comparison, both Ti-80SiC (WL-F0) and Ti-5Fe-80SiC (WL-F5) exhibited similar phase compositions to the TL coating, with no new phase identified in the coatings. However, the TiFeSi2 and SiC phases were presented in Ti-10Fe-80SiC (WL-F10) and Ti-15Fe-80SiC (WL-F15). It is proven that the addition of the Fe element could regulate the in situ reaction in the original Ti-Si-C ternary system to form the new phases with high hardness and good wear resistance. The hardness of the WL-F15 (1842.9 HV1) is five times higher than that of the matrix (350 HV1). Due to the existence of self-lubricating phases such as Ti5Si3 and Ti3SiC2, a lubricating film was presented in the WL-F0 and WL-F5 coatings, which could block the further damage of the friction pair and enhance the wear resistance. Furthermore, a wear-transition phenomenon was observed in the WL-F10 and WL-F15 coatings, which was similar to the friction behavior of structural ceramics. Under the load of 10 N and 20 N, the wear volume of WL-F15 coating is 5.2% and 63.7% of that in the substrate, and the depth of friction of WL-15 coating is only 14.4% and 80% of that in the substrate. The transition of wear volume and depth can be attributed to the wear mechanism changing from oxidation wear to adhesive wear.

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