Journal of the American Chemical Society
·
2024
·
IF 14.4
Xiaolan Duan,Yang Li,Jiahua Zhao,Mengyuan Zhang,Xiaopeng Wang,Li Zhang,Xiaoxuan Ma,Ying Qu,Pengfei Zhang
The catalytic properties of unary to ternary metal oxides were already well experimentally explored, and the left space seems like only high entropy metal oxides (HEOs, element types ≥5). However, the countless element compositions make the trial-and-error method of discovering HEO catalysts impossible. Herein, based on the study of the crystal phase and catalytic performance of the ACr2Ox catalyst system, the strong correlation between the single spinel phase and good catalytic activity of CH4 oxidation was inferred owing to the similar element importance sequences, which were acquired by the corresponding high accuracy machine learning models (cross-validation score >0.7). Furthermore, searching for negative data and choosing the proper training data resulted in high-quality regression models to search for better catalysts. Finally, the screened irregular catalyst Ni0.04Co0.48Zn0.36V0.12Cr2Ox with outstanding sulfur and moisture resistance and long-term stability (>7000 h, T90 = 345 °C) envisions the potential of applying the machine learning method to discover HEOs for target processes.
研究领域:
材料科学
·
催化
·
化学工程
·
机器学习
✓ 已验证
DOI
高影响因子
ISME Journal
·
2023
·
IF 11
Liu Xiaohan,Li Ping,Wang Helin,Han Li-Li,Yang Kai,Wang Yanhong,Jiang Zhou,Cui Li,Kao Shuh-Ji
Biological nitrogen fixation (BNF), the conversion of N 2 into bioavailable nitrogen (N), is the main process for replenishing N loss in the biosphere. However, BNF in groundwater systems remains poorly understood. In this study, we examined the activity, abundance, and community composition of diazotrophs in groundwater in the Hetao Plain of Inner Mongolia using 15 N tracing methods, reverse transcription qPCR (RT-qPCR), and metagenomic/metatranscriptomic analyses. 15 N 2 tracing incubation of near in situ groundwater (9.5–585.4 nmol N L −1 h −1 ) and N 2 -fixer enrichment and isolates (13.2–1728.4 nmol N g −1 h −1 , as directly verified by single-cell resonance Raman spectroscopy), suggested that BNF is a non-negligible source of N in groundwater in this region. The expression of nifH genes ranged from 3.4 × 10 3 to 1.2 × 10 6 copies L −1 and was tightly correlated with dissolved oxygen (DO), Fe(II), and NH 4 + . Diazotrophs in groundwater were chiefly aerobes or facultative anaerobes, dominated by Stutzerimonas , Pseudomonas , Paraburkholderia , Klebsiella , Rhodopseudomonas , Azoarcus , and additional uncultured populations. Active diazotrophs, which prefer reducing conditions, were more metabolically diverse and potentially associated with nitrification, sulfur/arsenic mobilization, Fe(II) transport, and CH 4 oxidation. Our results highlight the importance of diazotrophs in subsurface geochemical cycles.
研究领域:
环境微生物学
·
地球化学
·
水文地质学
·
微生物生态学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）