With the progression of society, an increasing emphasis on physical well-being and environmental safety has driven extensive research into technologies closely aligned with human health and environmental protection. Hydrogen peroxide (H2O2), a representative reactive oxygen species (ROS), serves as one of the products resulting from the single electron reduction of oxygen in organisms, playing a crucial role in cell signaling and maintaining internal stability. Relevant alterations of H2O2 concentrations have been implicated in the pathogenesis of various diseases, including diabetes and cancer. Moreover, the utilization of H2O2 is widely prevalent in various industries including chemical, pharmaceutical, and food sectors. However, the repetitive or uncontrolled utilization of H2O2 engenders deleterious implications for human well-being and environmental integrity. Therefore, there is immense significance in exploring a simple yet effective method for real-time and quantitative detection of H2O2 in living cells and actual samples. The use of nanocatalysts as sensing materials in the electrochemical detection method has garnered significant attention from researchers due to their operational simplicity, high sensitivity, cost-effectiveness, and facile miniaturization. However, there remains a dearth of comprehensive reviews on the electrochemical detection of H2O2 utilizing nanomaterials. In this paper, we focus on summarizing contemporary techniques for H2O2 detection with a specific emphasis on electrochemical detection methods, and highlighting the significant advancements in the field of electrochemical detection of H2O2 nanomaterials while also providing insights into future developments. 

Advances in Non-Enzymatic electrochemical materials for H2O2 sensing

Abstract Nanozymes exhibit significant potential in medical theranostics, environmental protection, energy development, and biopharmaceuticals due to their exceptional catalytic performance. Compared with natural enzymes, nanozymes have the advantages of simple preparation and purification, convenient production and low cost. Therefore, it is very important to prepare nanozymes quickly and efficiently, which not only helps to expand their application scope, but also can further exert their great potential in various fields. Metal‐organic frameworks (MOF) materials serve as versatile substrates for constructing nanozymes, offering unique advantages like adjustable structure, high specific surface area, and porous channels. MOF coordination nodes constructed from metal ions or metal clusters have unique properties that can be leveraged to tailor nanozyme characteristics for different applications. This review describes and analyzes recent methods for constructing nanozymes using MOF materials, and explores their application prospects in biomedicine. By expounding the preparation techniques and biomedical applications of nanozymes, this review aims to inspire researchers to develop innovative nanozyme materials and explore new application directions. 

Nanozymes in Biomedical Applications: Innovations Originated From Metal‐Organic Frameworks

Willow catkin template synthesis of NiS@NSC hollow tubes for highly sensitive dual-function electrochemical detection of acetaminophen and Cu2+

Demand for compute resources and thus energy demand for HPC is steadily increasing while the energy market transforms to renewable energy and is facing significant price increases. Optimizing energy efficiency of HPC clusters is therefore a major concern. Different possible optimization dimensions are discussed in this paper. This paper presents a digital twin design for analyzing and reducing energy consumption of a real-world HPC system. The digital twin is based on the HPC cluster at PTB. The digital twin receives information from multiple internal and external data sources to cover the different optimization opportunities. The digital twin also consists of a scheduling simulation framework that uses the data from the digital twin and real-world job traces to test the influence of the different parameters on the HPC cluster.

Towards an HPC cluster digital twin and scheduling framework for improved energy efficiency

Schedulers are critical for optimal resource utilization in high-performance computing. Traditional methods to evaluate schedulers are limited to post-deployment analysis, or simulators, which do not model associated infrastructure. In this work, we present the first-of-its-kind integration of scheduling and digital twins in HPC. This enables what-if studies to understand the impact of parameter configurations and scheduling decisions on the physical assets, even before deployment, or regarching changes not easily realizable in production. We (1) provide the first digital twin framework extended with scheduling capabilities, (2) integrate various top-tier HPC systems given their publicly available datasets, (3) implement extensions to integrate external scheduling simulators. Finally, we show how to (4) implement and evaluate incentive structures, as-well-as (5) evaluate machine learning based scheduling, in such novel digital-twin based meta-framework to prototype scheduling. Our work enables what-if scenarios of HPC systems to evaluate sustainability, and the impact on the simulated system. 

HPC Digital Twins for Evaluating Scheduling Policies, Incentive Structures and their Impact on Power and Cooling

A new Slurm simulator compatible with the latest Slurm version has been produced. It was constructed by systematically transforming the Slurm code step by step to maintain the proper scheduler output realization while speeding up simulation time. To test this simulator, a container-based Virtual Cluster was generated which fully mimicked a production HPC cluster. As for all Slurm simulators, the realization is a stochastic process dependent on the computational hardware. Under favorable conditions the simulator is able to approximate the actual Slurm scheduling realization. The simulation fidelity is sufficient to use the simulator for its main function, that is, to test Slurm parameter configurations without having to experiment on full production systems.

Developing Accurate Slurm Simulator

Superoxide dismutase (SOD) is an important metalloenzyme that catalyzes the dismutation of superoxide radicals (O2˙-) into hydrogen peroxide (H2O2) and oxygen (O2). However, the clinical application of SOD is severely limited due to its structural instability and high cost. Compared with natural enzymes, nanomaterials with enzyme-like activity, nanoenzymes, are more stable, economical and easy to modify and their activity can be adjusted. Certain nanozymes that exhibit SOD-like activity have been created and shown to help prevent illnesses brought about by oxidative stress. These SOD-like nanozymes offer an important solution to the problems associated with the clinical application of SOD. In this review, we briefly introduce neurodegenerative diseases, present the research progress of SOD-like nanoenzymes in the diagnosis and treatment of brain diseases, review their mechanism of action in the treatment and diagnosis of brain diseases, and discuss the shortcomings of the current research with a view to providing a reference for future research. We expect more highly active SOD-like nanoenzymes to be developed with a wide range of applications in the diagnosis and treatment of brain diseases.

Superoxide dismutase nanozymes: current status and future perspectives on brain disease treatment and diagnosis.

Cu2+ accelerates the viral-like propagation of α-synuclein fibrils and plays a key role in the pathogenesis of Parkinson's disease (PD). Therefore, the accurate detection of Cu2+ is essential for the diagnosis of PD and other neurological diseases. The Cu2+ detection process is impeded by substances that have similar electrochemical properties. In this study, graphdiyne (GDY), a new kind of carbon allotrope with strong electron-donating ability, was utilized for the highly selective detection of Cu2+ by taking advantage of its outstanding adsorption capacity for Cu2+. Density functional theory (DFT) calculations show that Cu atoms are adsorbed in the cavity of GDY, and the absorption energy between Cu and C atoms is higher than that of graphene (GR), indicating that the cavity of GDY is favorable for the adsorption of Cu atoms and electrochemical sensing. The GDY-based electrochemical sensor can effectively avoid the interference of amino acids, metal ions and neurotransmitters and has a high sensitivity of 9.77 μA·μM-1·cm-2, with a minimum detectable concentration of 200 nM. During the investigating pathogenesis and therapeutic process of PD with α-synuclein as the diagnostic standard, the concentration of Cu2+ in cells before and after L-DOPA and GSH treatments were examined, and it was found that Cu2+ exhibits high potential as a biomarker for PD. This study not only harnesses the favorable adsorption of the GDY and Cu2+ to improve the specificity of ion detection but also provide clues for deeper understanding of the role of Cu2+ in neurobiology and neurological diseases.

Harnessing Graphdiyne for Selective Cu2+ Detection: A Promising Tool for Parkinson's Disease Diagnostics and Pathogenesis.

The study of cellular responses linked to oxidative stress mechanisms is crucial in comprehending diverse physiological and pathological life processes, including mitochondrial dysfunction. Nonetheless, despite the interference of O2, the monitoring of ROS released from cells poses a challenging task. In this study, carbon-based copper single-atom catalysts (Cu SACs) were synthesized that exhibits excellent electrocatalytic performance for H2O2 reduction with an initial potential at 0.23 V and effectively avoids interference from O2. Based on this catalyst, a flexible and stretchable oxygen-tolerant sensor was constructed and applied to monitor the calcium ion-induced ROS burst in human umbilical vein endothelial cells (HUVECs) in a simulated physiological condition. This study effectively eradicates interference that may arise from the reduction of O2 and presents a dependable platform for real-time in situ monitoring of physiologically active molecules by utilizing H2O2 detection.

Cu single-atom catalyst-based flexible hydrogen peroxide electrochemical sensor with oxygen resistance for monitoring ROS bursts.

Cell mechanotransduction plays an important role in vascular regulation and disease development. Excessive accumulation of ROS, especially superoxide anion radicals (O2˙-), is closely related to cardiovascular diseases. Lately, NADPH oxidases, which are the major source of O2˙- production in vascular tissues, have been demonstrated to be involved in cardiovascular diseases. Therefore, in situ and real-time monitoring of superoxide anions (O2˙-) is essential for exploring the mechanisms of mechanotransduction associated with NADPH oxidase function in living cells. Here we report a rationally designed ultrasonication-assisted approach for growing Au nanoflower films on a flexible surface, which serves as the desired interface for cysteine and superoxide dismutase (SOD) anchoring to form a flexible and stretchable electrode (SOD/Cys/Au SE). The SOD/Cys/Au SE shows good stretchability, fast electron-transfer rates, and high selectivity to measure O2˙- released from cells during the stretching states. Our strategy provides a basis for developing more sophisticated stretchable biosensing tools to induce and monitor transient biochemical signals during cell mechanotransduction.

Au nanoflower film-based stretchable biosensors for in situ monitoring of superoxide anion release in cell mechanotransduction.

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