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Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li
10
GeP
2
S
12
Solid Electrolyte
期刊论文
MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14
作者:
Qi, Changlin
;
Zhou, Yuwei
;
Yuan XZ(袁晓泽)
;
Peng Q(彭庆)
;
Yang, Yong
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2024/05/27
Li10GeP2S12 solid electrolyte
first-principles calculation
Ewald-summation-based electrostatic energy
machine learning- and active-learning-based LAsou method
ab initio molecular dynamics
Bialorastins A-F, highly oxygenated and polycyclic andrastin-type meroterpenoids with proangiogenic activity from the deep-sea cold-seep-derived fungus Penicillium bialowiezense CS-283
期刊论文
BIOORGANIC CHEMISTRY, 2024, 卷号: 143, 页码: 12
作者:
Yan, Li-Hong
;
Li, Pei-Hai
;
Li, Xiao-Ming
;
Yang, Sui-Qun
;
Liu, Ke-Chun
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2024/04/07
Cold-seep
Penicillium bialowiezense
Meroterpenoids
Proangiogenic activity
A New Harziane Diterpene, Harziaketal A, and a New Sterol, Trichosterol A, from the Marine-Alga-Epiphytic
Trichoderma
sp. Z43
期刊论文
CHEMISTRY & BIODIVERSITY, 2023, 页码: 5
作者:
Shi, Zhen-Zhen
;
Yin, Xiu-Li
;
Song, Yin-Ping
;
Ji, Nai-Yun
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2023/11/15
antimicroalgal activity
harziane diterpene
steroid
structure elucidation
Trichoderma
Lipids and Terpenoids from the Deep-Sea Fungus
Trichoderma lixii
R22 and Their Antagonism against Two Wheat Pathogens
期刊论文
MOLECULES, 2023, 卷号: 28, 期号: 17, 页码: 10
作者:
Li, Chang-Peng
;
Shi, Zhen-Zhen
;
Fang, Sheng-Tao
;
Song, Yin-Ping
;
Ji, Nai-Yun
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2023/11/15
Trichoderma
lipid
terpenoid
butenolide
brasilane
fungicide
Unconventional energetics of small vacancy clusters in BCC high-entropy alloy Nb0.75ZrTiV0.5
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2023, 卷号: 146, 页码: 61-71
作者:
Shi, Tan
;
Qiu, Xi
;
Zhou, Yundi
;
Lyu, Sixin
;
Li, Jing
收藏
  |  
浏览/下载:90/0
  |  
提交时间:2023/06/15
Refractory high-entropy alloys
Small vacancy clusters
First-principles calculations
Defect energetics
Radiation defect evolution
Effects of Crack Formation on the Mechanical Properties of Bilayer Graphene: A Comparative Analysis
期刊论文
CRYSTALS, 4, 2023, 卷号: 13, 页码: 584
作者:
Yu, Taotao
;
Li, Jianyu
;
Yang, Ziqiang
;
Li, Haipeng
;
Peng Q(彭庆)
收藏
  |  
浏览/下载:138/0
  |  
提交时间:2023/06/15
bilayer graphene
molecular dynamics simulation
mechanical properties
Young's modulus
precrack system
Radiation damage accumulation mechanisms at iron grain boundaries revealed by coupled atomic and coarse-grained simulations via the parameter-passing and structural feedback
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 572
作者:
Li, Xiangyan
;
Li, Xiaolin
;
Zhang, Yange
;
Xu, Yichun
;
Wu, Xuebang
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2022/12/23
Grain boundary
Multiscale simulation
Structural relaxation
Defects clusters
Cyclopiumolides A and B, unusual 13-membered macrolides from the deep sea-sourced fungus Penicillium cyclopium SD-413 with antiproliferative activities
期刊论文
BIOORGANIC CHEMISTRY, 2022, 卷号: 128, 页码: 7
作者:
Li, Yan-He
;
Yang, Sui-Qun
;
Li, Xiao-Ming
;
Li, Xin
;
Wang, Bin-Gui
收藏
  |  
浏览/下载:288/0
  |  
提交时间:2023/01/06
Macrolides
Penicillium cyclopium
Deep-sea sediment
Cytotoxicity
Mining new meroterpenoids from the marine red alga-derived endophytic Penicillium chermesinum EN-480 by comparative transcriptome analysis
期刊论文
BIOORGANIC CHEMISTRY, 2022, 卷号: 128, 页码: 8
作者:
Hu, Xue-Yi
;
Li, Xiao-Ming
;
Liu, Hui
;
Wang, Bin-Gui
;
Meng, Ling-Hong
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2023/12/13
Penicillium chermesinum
Comparative transcriptome analysis
Meroterpenoids
Antimicrobial activitie
Plausible biosynthesis pathway
Uncommon Polyketides from Penicillium steckii AS-324, a Marine Endozoic Fungus Isolated from Deep-Sea Coral in the Magellan Seamount
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2022, 卷号: 23, 期号: 11, 页码: 13
作者:
Hu, Xue-Yi
;
Li, Xiao-Ming
;
Wang, Bin-Gui
;
Meng, Ling-Hong
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2022/07/18
marine endozoic fungus
Penicillium steckii
polyketide derivatives
natural products
structure elucidation
biological activity
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