Uncovering structure-activity relationships in Brønsted acidic deep eutectic solvents for extractive and oxidative desulfurization

D Zhu, J Yin, L Xu, B Zhang, L Zhu, J He, H Li… - Applied Catalysis B …, 2025 - Elsevier
Modeling the structure-activity relationships (SARs) of deep eutectic solvents (DESs) is
crucial for upgrading their catalytic performance in targeted reactions. Herein, a series of …

Nano-island-encapsulated cobalt single-atom catalysts for breaking activity-stability trade-off in Fenton-like reactions

ZQ Zhang, PJ Duan, JX Zheng, YQ **e, CW Bai… - Nature …, 2025 - nature.com
Single-atom catalysts (SACs) have been increasingly acknowledged for their performance in
sustainable Fenton-like catalysis. However, SACs face a trade-off between activity and …

Computational Design-Enabled Divergent Modification of Monoterpene Synthases for Terpenoid Hyperproduction

L Su, P Liu, W Liu, Q Liu, J Gao, Q Zhao, K Jia… - ACS …, 2024 - ACS Publications
Enzymes' catalytic promiscuity enables the alteration of product specificity via protein
engineering; yet, harnessing this promiscuity to achieve desired catalytic reactions remains …

Ionic liquid ultrasound-assisted hydrodistillation high efficiency extraction of turmeric (Curcuma longa L.) essential oil and study of its extraction mechanism

Y Chen, H Yu, Y Liu, Y Guo, X Wang, Y Wang… - Separation and …, 2025 - Elsevier
The optimal conditions for extracting turmeric essential oil (CEO) using ionic liquid
ultrasound-assisted hydrodistillation (IL-U-HD) were determined in this study. In this context …

Monofluorinated Phosphate with Unique P− F Bond for Nonflammable and Long‐Life Lithium‐Ion Batteries

Y Wang, Y Zhao, S Zhang, L Shang, Y Ni… - Angewandte Chemie …, 2024 - Wiley Online Library
Lithium‐ion batteries (LIBs) with conventional carbonate‐based electrolytes suffer from
safety concerns in large‐scale applications. Phosphates feature high flame retardancy but …

An Ab Initio Study of the Effect of Strain on the Permeability of N2 and CO2 in N-Graphdiyne: Implication for Gas-Selective Membranes

Y Wang, G Sun, J Guan, YQ Li, Y Yang… - ACS Applied Nano …, 2024 - ACS Publications
Utilizing nanoporous membranes for efficient CO2/N2 separation presents a promising
strategy for addressing climate change and related environmental issues. In this work, we …

Enabling Rational Electrolyte Design for Lithium Batteries through Precise Descriptors: Progress and Future Perspectives

B Cui, J Xu - Journal of Materials Chemistry A, 2025 - pubs.rsc.org
The rational design of new electrolytes has become a hot topic in improving ion transport
and chemical stability of lithium batteries in extreme conditions, particularly in cold …

Enhanced removal of Ni2+ and Co2+ from wastewater using a novel 2-hydroxyphosphonoacetic acid modified Mg/Fe-LDH composite adsorbent

S Zhu, H Xu, MS Khan, M **a, F Wang, Y Chen - Water Research, 2025 - Elsevier
While technological advancements in treating electroplating wastewater continue, removing
high concentrations of Ni 2+ and Co 2+ remains a challenge. Surface functionalization of …

Aromaticity in Isoelectronic Analogues of Benzene, Carborazine and Borazine, from Electronic Structure and Magnetic Property

Y Wu, X Yan, Z Liu, T Lu, M Zhao, J Xu… - … –A European Journal, 2024 - Wiley Online Library
Abstract Carborazine (B2C2N2H6) and borazine (B3N3H6) are isoelectronic analogues of
benzene (C6H6). The aromatic character of borazine have basically reached a consensus …

Massively parallel tensor network state algorithms on hybrid CPU-GPU based architectures

A Menczer, O Legeza - Journal of Chemical Theory and …, 2023 - ACS Publications
The interplay of quantum and classical simulation and the delicate divide between them is in
the focus of massively parallelized tensor network state (TNS) algorithms designed for high …