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Application of Deep-Learning Potential in Simulating the Structural and Physical Characteristics of Platinum
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作者 keyuan chen Xingkao Zhang +7 位作者 Li Ma Jueyi Ye Qi Qiu Haoxiang Zhang Ju Rong Yudong Sui Xiaohua Yu Jing Feng 《Computers, Materials & Continua》 2025年第4期685-700,共16页
The deep potential(DP)is an innovative approach based on deep learning that uses ab initio calculation data derived from density functional theory(DFT),to create high-accuracy potential functions for various materials... The deep potential(DP)is an innovative approach based on deep learning that uses ab initio calculation data derived from density functional theory(DFT),to create high-accuracy potential functions for various materials.Platinum(Pt)is a rare metal with significant potential in energy and catalytic applications,However,there are challenges in accurately capturing its physical properties due to high experimental costs and the limitations of traditional empirical methods.This study employs deep learning methods to construct high-precision potential models for single-element systems of Pt and validates their predictive performance in complex environments.The newly developed DP is highly consistent with DFT results in predicting the stable phases,lattice constants,surface energies,and phonons dispersion relations of Pt,demonstrating outstanding quantum-level accuracy.Additionally,the complex phase transitions and domain formations of Pt are extensively and quantitatively analyzed.Molecular dynamic simulations utilizing the DP approach show that Pt’s face-centered cubic(FCC)structure undergoes a phase transition from solid to liquid at its melting point of 1986 K,this is in close agreement with the experimental value of 2041.5 K.Increased temperature enhances the diffusion of Pt atoms,with a self-diffusion coefficient of 1.17×10-11 m2/s at the melting point,comparable to that of other FCC metals.This result can be utilized for the precise analysis of the fundamental properties of the rare metal Pt at the microscopic scale,and it facilitates the development of binary or multi-component deep potential models that include Pt. 展开更多
关键词 Deep learning ab initio calculations phase transitions molecular dynamics simulations
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Identification and Characterization of a Distinct Strain of Beak and Feather Disease Virus in Southeast China 被引量:1
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作者 Yanmei Ma Xiaoyong chen +7 位作者 keyuan chen Xiancheng Zeng Shili Yang Wei Chang Yao Tang Xiaoli chen Song Wang Ji-Long chen 《Virologica Sinica》 SCIE CAS CSCD 2020年第1期43-51,共9页
Beak and feather disease virus(BFDV) is an infectious agent responsible for feather degeneration and beak deformation in birds. In March 2017, an epidemic of psittacine beak and feather disease(PBFD) struck a farm in ... Beak and feather disease virus(BFDV) is an infectious agent responsible for feather degeneration and beak deformation in birds. In March 2017, an epidemic of psittacine beak and feather disease(PBFD) struck a farm in Fuzhou in the Fujian Province of southeast China, resulting in the death of 51 parrots. In this study, the disease was diagnosed and the pathogen was identified by PCR and whole genome sequencing. A distinct BFDV strain was identified and named as the FZ strain.This BFDV strain caused severe disease symptoms and pathological changes characteristic of typical PBFD in parrots, for example, loss of feathers and deformities of the beak and claws, and severe pathological changes in multiple organs of the infected birds. Phylogenetic analysis showed that the FZ strain was more closely related to the strain circulating in New Caledonia than the strains previously reported in China. Nucleotide homology between the FZ strain and other 43 strains of BFDV ranged from 80.0% to 92.0%. Blind passage experiment showed that this strain had limited replication capability in SPF Chicken Embryos and DF-1 Cells. Furthermore, the capsid(Cap) gene of this FZ strain was cloned into the p GEX-4 T-1 expression vector to prepare the polyclonal anti-Cap antibody. Western blotting analysis using the anti-Cap antibody further confirmed that the diseased parrots were infected with BFDV. In this study, a PBFD and its pathogen was identified for the first time in Fujian Province of China, suggesting that future surveillance of BFDV should be performed. 展开更多
关键词 BEAK and FEATHER disease virus(BFDV) PARROT FZ STRAIN CAPSID protein(Cap) PHYLOGENETIC analysis
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Maternal probiotic mixture supplementation optimizes the gut microbiota structure of offspring piglets through the gut-breast axis
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作者 Ting Hu Zhiguan Song +6 位作者 Lan Yang keyuan chen Yi Wu Fei Xie Jiufeng Wang Guiyan Yang Yaohong Zhu 《Animal Nutrition》 CSCD 2024年第4期386-400,共15页
Delivery and weaning are major stressful events in sows and piglets,adversely affecting production and growth performance and causing economic losses to swine farms.Probiotics as safe antibiotic alternatives have grea... Delivery and weaning are major stressful events in sows and piglets,adversely affecting production and growth performance and causing economic losses to swine farms.Probiotics as safe antibiotic alternatives have great potential for use across all stages of livestock farming.Here,18 pregnant sows from clinical farms randomly were divided into two groups:one fed a basal diet(CON group)and the other fed a basal diet plus a probiotic mixture CBB-mix(containing 1×10^(12) CFU/g of Lactobacillus johnsonii[CJ21],1×10^(9) CFU/g of Bacillus subtilis[BS15],and 1×10^(9) CFU/g of Bacillus licheniformis[BL21]),for 20 days before delivery.The effects of maternal CBB-mix supplementation on sow colostrum metabolome and offspring piglets'clinical performance,immune status,and gut microbiota were investigated.Additionally,177 piglets were randomly divided into 4 groups,including CC group(piglets and sows fed a basal diet,n=40 from 5 litters),CP group(piglets fed the basal diet plus CBB-mix and sows fed the basal diet,n=38 from 4 litters),PC group(piglets fed the basal diet and sows fed the basal diet plus CBB-mix,n=50 from 4 litters),and PP group(both piglets and sows fed the basal diet plus CBB-mix,n=49 from 5 litters).Among that,CP and PP groups were added CBB-mix in the creep feed from 11 days of age for 18 days to study the direct effects of CBB-mix on the growth performance of piglets.Maternal CBB-mix supplementation improved sow production performance,including litter size at birth and litter weight at birth(P<0.05).Piglets born from CBB-mix-fed sows exhibited increased litter size at weaning and reduced diarrhea incidence from 1 to 10 days of age(P<0.05).Additionally,systemic immune status and antioxidant capabilities were improved in both sows and piglets.Maternal CBB-mix supplementation reconstituted the gut microbiota structure and increased the Sobs index and Shannon index of fecal microbiota in both sows and piglets(P<0.05).The relative abundance of Firmicutes and Clostridium_sensu_stricro_1 in sow feces was decreased after feeding CBB-mix(P<0.05).In piglets,10-dayold feces had relatively more Lactobacillus but less Escherichia-Shigella than 1-day-old feces(P<0.05),indicating that maternal feeding CBB-mix alone affects the gut microbiota community of offspring piglets via the gut-breast axis.Piglets born from CBB-mix-fed sows had continuously decreased the relative abundance of fecal Escherichia-Shigella at 28 days of age(P<0.05).Consistently,the metabolite profile in sow milk was also changed by CBB-mix.Colostrum metabolome showed that CBB-mix significantly regulated tryptophan metabolism and primary bile acid biosynthesis.Our data demonstrated that maternal CBB-mix supplementation effectively improved the production performance of sows and their offsprings'growth performance.Through the gut-breast axis(interaction between gut microbiota and mammary glands),feeding CBB-mix to sows impacted the gut microbiota of their offspring.This study provides strategy and evidence for maternal probiotic supplementation to improve immune status and gut microbiota homeostasis in response to delivery and weaning. 展开更多
关键词 Probiotic mixture Gut microbiota Colostrum metabolome Gutebreast axis SOW PIGLET
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STAT3-NAV2 axis as a new therapeutic target for rheumatoid arthritis via activating SSH1L/Cofilin-1 signaling pathway
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作者 Ran Wang Jianghong Cai +7 位作者 keyuan chen Menglin Zhu Zhaoyi Li Hua Liu Tiantian Liu Jianchun Mao Qian Ding Yi Zhun Zhu 《Signal Transduction and Targeted Therapy》 SCIE CSCD 2022年第8期2690-2693,共4页
Dear Editor,Rheumatoid arthritis(RA),which is the most common inflammatory arthritis disease,as well as a kind of most prevalent autoimmune disease,affects 1–3%population all over the world.1 Currently available trea... Dear Editor,Rheumatoid arthritis(RA),which is the most common inflammatory arthritis disease,as well as a kind of most prevalent autoimmune disease,affects 1–3%population all over the world.1 Currently available treatments can reduce the disability rate of patients with RA to some extent,but they cannot completely block the inflammatory joint destruction and relieve the pain that comes with it.Our previous study found that Neuron Navigator 2(NAV2)increased significantly in RA and was regulated by transcription factor E2F1.2 However,it is still unclear why NAV2 is elevated at the genetic level in RA fibroblast-like synoviocytes(FLS).Additionally,RA’s exact pathological mechanisms and therapeutic targets are also not fully understood.Hence,an indepth study of the pathogenesis of RA is urgently needed. 展开更多
关键词 THERAPEUTIC STAT3 ELEVATED
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