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Metal single-atom catalysts (SACs) with near-100% metal utilization and flexible coordination environments are promising candidates for electrochemical chlorine evolution reaction (CER) to produce valuable Cl-a key raw material for plastics manufacturing, water treatment, and pharmaceuticals. However, it remains challenging to assess specific coordination environments for structure-activity relationships and monitor their dynamic structural evolution under catalytic reaction conditions. Herein, operando X-ray absorption fine structure (XAFS) revealed distinct dynamic structural evolution on the low-coordinated Pt site, compared to the conventional PtN site. Specifically, the low-coordinated Pt site transformed into an asymmetry PtNCl structure upon exposure to a Cl-containing solution, transiently evolved to PtNCl intermediate at low overpotentials, and reverted to PtNCl after CER. By overcoming the limitation of *Cl intermediate coverage on PtN SAC, the low-coordinated Pt SAC displayed superior CER performance to commercial RuO and PtN benchmarks. This work provides new insights into the rational design of coordination geometry in SACs for electrocatalysis.
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http://dx.doi.org/10.1002/anie.202513656 | DOI Listing |
Neural Netw
September 2025
School of Mathematics and Information Science, Guangxi University, Nanning, 530004, China. Electronic address:
This study presents a novel variable gain intermittent boundary control (VGIBC) approach for stabilizing delayed stochastic reaction-diffusion Cohen-Grossberg neural networks (SRDCGNN). In contrast to traditional constant gain intermittent boundary control (CGIBC) methods, the proposed VGIBC framework dynamically adjusts the control gain based on the operational duration within each control cycle, thereby improving adaptability to variations in work interval lengths. The time-varying control gain is designed using a piecewise interpolation method across work intervals, defined by a finite set of static gain matrices.
View Article and Find Full Text PDFJ Am Soc Mass Spectrom
September 2025
Anhui Province Key Laboratory for Control and Applications of Optoelectronic Information Materials, School of Physics and Electronic Information, Anhui Normal University, Wuhu, Anhui 241000, China.
An integrated miniature time-of-flight mass spectrometer (TOF-MS) system coupled with a pocket-size 3D-printed laser-induced acoustic desorption (LIAD) source is described. This 3D-printed LIAD source utilizes only a miniature deceleration motor to achieve two-dimensional motion of the target surface, simplifying the source structure and improving the long-term stability of mass spectrometry measurements. It has been successfully applied to analyze the model molecule creatinine and ingredients in an energy beverage (Red Bull), where main natural nutrients were clearly identified.
View Article and Find Full Text PDFChem Biodivers
September 2025
School of Traditional Chinese Materia Medica, Key Laboratory of Ethnomedicine Material Basis & Pharmacological Mechanisms, Shenyang, Shenyang Pharmaceutical University, Shenyang, China.
In intracellular signaling, mammalian target of rapamycin (mTOR) as an important mammalian target for breast cancer therapy, plays a key role in receiving upstream signals from growth factor receptors such as epidermal growth factor receptor (EGFR) and human epidermal growth factor receptor 2 (HER2). Using 30 compounds from Meehania fargesii var. Radicans, structure-based virtual screening and molecular docking were performed to develop novel and safe breast cancer targeting inhibitors from natural products.
View Article and Find Full Text PDFInorg Chem
September 2025
Institutes of Physical Science and Information Technology, Key Laboratory of Structure and Functional Regulation of Hybrid Materials (Anhui University), Ministry of Education, Hefei 230601, P. R. China.
Precisely structured nanoclusters provide ideal platforms for elucidating structural evolution and structure-activity relationships. However, mechanistic understanding of dynamic core-shell rearrangements has long been impeded by the elusive nature of intermediates during transformation processes. Here, we show that ligand engineering-driven asymmetric thiolate exchange enables atomic-level visualization of structural evolution, thereby overcoming the long-standing challenge of intermediate capture.
View Article and Find Full Text PDFJ Chem Inf Model
September 2025
College of Agriculture and Biological Science, Dali University, Dali 671000, China.
The E76K mutation in protein tyrosine phosphatase (PTP) SHP2 is a recurrent driver of developmental disorders and cancers, yet the mechanism by which this single-site substitution promotes persistent activation remains elusive. Here, we combine path-based conformational sampling, unbiased molecular dynamics (MD) simulations, Markov state models (MSMs), and neural relational inference (NRI) to elucidate how E76K reshapes the activation landscape and regulatory architecture of SHP2. Using a minimum-action trajectory derived from experimentally determined closed and open structures, we generated representative transition intermediates to guide the unbiased MD simulations.
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