Coordination Chemistry Reviews最新文献_第5页

Recent advances in hydrotreating and hydrocracking catalysts for the preparation of light aromatics: Influencing factors, catalytic mechanisms and performance relationship descriptors

IF 20.3 1区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Coordination Chemistry Reviews

Pub Date : 2025-01-24 DOI: 10.1016/j.ccr.2025.216444

Lingjing Yu , Hong Nie , Ping Yang , Linmeng Wang , Shihao Feng , Hongyi Gao , Ge Wang

Sustainability and environmental concerns have posed significant challenges to the petrochemical industry. To maintain the overall balance of materials and enhance the resilience of the refining and petrochemical industry chain, it is crucial to focus on the development of high-value products and clean energy. Light aromatic hydrocarbons (BTX) are an important chemical raw material, and their production can not only meet the requirements of environmental protection but also realize the high-value utilization of aromatic materials. Hydrotreating (HT) and hydrocracking (HYC) have emerged as promising technologies for BTX production and have been extensively researched in the past few decades. Various catalytic materials, including metal-doped, phosphide-loaded, carbon-based composites, as well as noble and non-noble metal-based materials, are commonly employed in these processes to enhance reaction efficiency and improve product selectivity. This paper summarizes and discusses the recent advances in catalyst materials for HT and HYC reactions, including 1) factors influencing the catalytic reactions of HT and HYC, 2) advances in the characterization and performance understanding of HT and HYC catalysts in the preparation of light aromatics, and 3) computer-assisted design and mechanism investigation of HT and HYC catalysts, as well as the mining of quantitative relationship descriptors. We also concisely discuss some of the scientific challenges and provide a brief outlook on the future development of HT and HYC catalysts. This paper aims to provide insights and strategies for the discovery, optimization, and design of HT and HYC catalysts, as well as understanding their structure-performance relationships.

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引用次数: 0

Artificial intelligence interventions in 2D MXenes-based photocatalytic applications

IF 20.3 1区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Coordination Chemistry Reviews

Pub Date : 2025-01-24 DOI: 10.1016/j.ccr.2025.216460

Durga Madhab Mahapatra , Ashish Kumar , Rajesh Kumar , Navneet Kumar Gupta , Baranitharan Ethiraj , Lakhveer Singh

Artificial Intelligence powered application have become the norms in day-to-day life. This has a tremendous role for material investigations catering diverse applications. Present day advanced materials as various MAX phases transformed into MXenes have immense applications for environmental use. MXenes have shown great potential in photocatalysis application targetingCO₂ reduction, H₂O₂ production, wastewater and dye treatment and nitrogen fixation. For an AI based implementation and model development, the basics of photon capture and charge transfer characteristics of photocatalytic materials, right from biological systems to organic/inorganic solar cells are crucial. This had been very thoroughly worked by compelling computational model and theories. The AI-ML based approaches have been instrumental in identification, screening, scrutiny of advanced materials, especially MXenes for varied applications via the supervised, unsupervised and reinforcement learning techniques. These exercises have provided the models that can be potentially more equipped for parallelly performing the classification and regression with a higher prediction accuracy. Use of advanced deep learning techniques have aided in establishing relation between structure-feature-properties and applications for MXenes based materials. Finally, a Criteria based AI aided Decision Support System is also discussed that prioritises environmentally sound and green MAX phase precursors for the development of photocatalytic materials. This will aid in developing technically feasible, economically viable and environmentally sustainable approaches for MXenes commercialization targeting environmentally friendly photocatalytic applications, thereby achieving sustainability development goals.

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引用次数: 0

Controllable synthesis of layered double hydroxides: From macroscopic morphology to microscopic coordination at the atomic level 层状双氢氧化物的可控合成：从宏观形态到微观原子配位

IF 20.3 1区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Coordination Chemistry Reviews

Pub Date : 2025-01-23 DOI: 10.1016/j.ccr.2025.216437

Sha Bai , Guihao Liu , Tianyang Shen , Zhaohui Wu , Wei Chen , Yu-Fei Song

Layered double hydroxides (LDHs), as a typical inorganic two-dimensional layered material, have been widely studied in the fields of photoelectrocatalysis, energy, and environment due to their unique layered structure and excellent catalytic activity. In addition, the flexible and adjustable laminate composition of LDHs, the flexible anion exchange and column-supported exfoliation of the domain-limited space allow the reactivity of LDHs to be modulated with the changes in their composition, size, thickness, morphology, etc. Therefore, the precise synthesis of LDHs from macroscopic to microscopic is the key to promoting their development in fundamental science and industrial application. Herein, we summarize the controllable synthesis methods of LDHs in recent years, including the precise tuning strategies of macroscopic structure, such as morphology, size, thickness, etc. Furthermore, controllable preparation strategies of coordination structure at the atomic level, including the intercalation ions, coordination number, and coordination environment were also reviewed. Meanwhile, the application of synthesized LDHs with specific structures in photocatalysis, batteries, environment, and other fields has also been mentioned. Finally, the major challenges and prospects of LDHs are discussed in terms of further improving the controllability of precise synthesis.

层状双氢氧化物（LDHs）作为一种典型的无机二维层状材料，由于其独特的层状结构和优异的催化活性，在光电催化、能源和环境等领域得到了广泛的研究。此外，LDHs的柔性和可调节的层压板组成，灵活的阴离子交换和柱支撑的有限域空间剥离使得LDHs的反应性可以随着其组成，尺寸，厚度，形貌等的变化而调节。因此，从宏观到微观的精确合成LDHs是促进其基础科学和工业应用发展的关键。本文综述了近年来LDHs的可控合成方法，包括形貌、尺寸、厚度等宏观结构的精确调谐策略。综述了原子水平上可控的配位结构制备策略，包括嵌入离子、配位数和配位环境。同时也提到了合成的具有特定结构的LDHs在光催化、电池、环境等领域的应用。最后，从进一步提高精确合成的可控性方面，讨论了低密度合成的主要挑战和前景。

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引用次数: 0

Surface site design in photocatalytic carbon conversion applications

IF 20.3 1区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Coordination Chemistry Reviews

Pub Date : 2025-01-23 DOI: 10.1016/j.ccr.2025.216459

Yi Zhang , Yixing Zhou , Molly Meng-Jung Li , Jun Di

Photocatalysis offers innovative solutions to the pressing issues of energy scarcity and environmental pollution. Many photocatalytic reactions are related to the carbon conversion process. Therefore, the targeted construction of reaction-oriented photocatalysts is both meaningful but challenging. This review summarizes the most recent research achievements in the design of surface active sites on photocatalysts. The main functions of custom-made sites are described in details, such as light absorption, charge separation and interfacial reaction properties. Various methods for achieving precise site design on photocatalytic substrates are compiled, including surface exposure, interacting force, chemical bonding, multi-step integration and hybridization modification. Moreover, the review delves into the integral relationship between site design and photocatalytic applications, viewed through the lens of carbon atoms state transitions during reactions. Ultimately, we provide a prospective outline of the current challenges of site design and suggest potential trajectories for future investigations.

引用次数: 0

Unlocking the potential of MBenes for sensing applications: A review of gas and biosensor innovations 释放MBenes在传感应用中的潜力：气体和生物传感器创新综述

IF 20.3 1区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Coordination Chemistry Reviews

Pub Date : 2025-01-22 DOI: 10.1016/j.ccr.2025.216458

Ahmad Husain , Prem Gunnasegaran , Mohtaram Danish

Sensors have emerged as crucial tools in various fields, particularly in environmental monitoring and healthcare diagnostics, driven by increasing global health and environmental concerns. Among the promising materials, metal borides, or MBenes, have gained attention for their tunable electronic properties, large surface area, and chemical stability. MBenes demonstrate exceptional potential in both gas and biosensing applications due to their high conductivity and surface reactivity, making them adept at detecting low concentrations of hazardous gases and selectively interacting with biomolecules. This review discusses recent advances in the synthesis, structural modifications, and functionalization of MBenes, emphasizing their role in enhancing sensor selectivity and sensitivity. It also explores theoretical and experimental insights into their interactions with target analytes while outlining the challenges and opportunities for their integration into practical sensing systems. Key achievements include the development of MBene-based gas sensors capable of detecting ultra-low concentrations of gases such as NO₂, NO, CO, CO₂, NH₃, SO, SO₂, humidity and various fluorocarbons (e.g., C₄F₇N, C₅F₁₀O, CF₄, C₃F₆, COF₂) with unprecedented sensitivity and fast response times. Additionally, MBene-based biosensors have demonstrated remarkable performance in detecting biomolecules and pathogens, offering significant improvements in detection limits and specificity compared to traditional sensing platforms. This review concludes by outlining future research directions aimed at further enhancing MBene-based sensor performance, exploring new applications, and integrating these materials into practical sensing technologies for environmental monitoring, healthcare diagnostics, and industrial process control.

在日益增加的全球健康和环境问题的推动下，传感器已成为各个领域的关键工具，特别是在环境监测和医疗保健诊断方面。在有前途的材料中，金属硼化物（MBenes）因其可调谐的电子特性、大表面积和化学稳定性而受到关注。由于其高导电性和表面反应性，MBenes在气体和生物传感应用中表现出非凡的潜力，使其擅长检测低浓度的有害气体并选择性地与生物分子相互作用。本文综述了MBenes的合成、结构修饰和功能化的最新进展，强调了它们在提高传感器选择性和灵敏度方面的作用。它还探讨了与目标分析物相互作用的理论和实验见解，同时概述了将其整合到实际传感系统中的挑战和机遇。主要成果包括开发基于mbene的气体传感器，能够检测超低浓度的气体，如NO2， NO， CO, CO2, NH3， SO, SO2，湿度和各种氟碳化合物（如C4F7N， c5f100, CF4, C3F6, COF2），具有前所未有的灵敏度和快速响应时间。此外，基于mbene的生物传感器在检测生物分子和病原体方面表现出了显著的性能，与传统的传感平台相比，在检测限和特异性方面有了显著的提高。本文最后概述了未来的研究方向，旨在进一步提高基于mbene的传感器性能，探索新的应用，并将这些材料集成到环境监测、医疗诊断和工业过程控制的实际传感技术中。

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引用次数: 0

Structural effects of the Pb2+ 6s2 lone pair activity: Eccentricity Pb2+ 6s2孤对活性的结构效应：偏心率

IF 20.3 1区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Coordination Chemistry Reviews

Pub Date : 2025-01-22 DOI: 10.1016/j.ccr.2025.216434

Charlene Harriswangler , Antía Freire-García , Saray Argibay-Otero , Aurora Rodríguez-Rodríguez , José M. Rodríguez , David Esteban-Gómez , Ezequiel M. Vázquez-López , Carlos Platas-Iglesias

The stereochemical activity of the 6s² lone pair has profound consequences on the coordination chemistry of metal ions like Tl⁺, Pb²⁺ and Bi³⁺. The coordination chemistry of Pb²⁺ is very likely the most extensively investigated among the metal ions with [Xe]4f¹⁴5d¹⁰6s² electronic configuration, allowing for a detailed analysis of the factors that affect the stereochemical activity of the 6s² lone pair. In this review, the X-ray structures of a wide variety of Pb²⁺ complexes were analyzed by approximating their coordination environments to a prolate spheroid. The eccentricity (ε) of the spheroid provides a straightforward measure of the stereochemical activity of the Pb²⁺ lone pair. Holodirected structures are characterized by a rather spherical distribution of the donor atoms around the metal ion, leading to values of ε < 0.05. The stereochemical activity of the lone pair may result in either moderately hemidirected structures, with ε values in the range 0.05–0.15, or strongly hemidirected structures, when ε > 0.15. Hemidirected structures are favored by low coordination numbers and the presence of negatively charged donor atoms. In this work not only have many representative complexes been analyzed to provide a classification of these systems according to their eccentricity, but also a simple tool is provided for coordination chemists, through which they can easily classify their complexes as holodirected or hemidirected.

6s2孤对的立体化学活性对Tl+、Pb2+和Bi3+等金属离子的配位化学具有深远的影响。Pb2+的配位化学很可能是在具有[Xe]4f145d106s2电子构型的金属离子中被研究得最广泛的，从而可以详细分析影响6s2孤对立体化学活性的因素。本文通过将Pb2+配合物的配位环境近似于一个长形球体，分析了多种Pb2+配合物的x射线结构。球体的偏心率（ε）提供了Pb2+孤对立体化学活性的直接测量。全向结构的特点是供体原子在金属离子周围呈球形分布，导致ε <；0.05. 孤对的立体化学活性可能导致中度偏定向结构（ε值在0.05 ~ 0.15之间）或强偏定向结构(ε >；0.15. 半定向结构受低配位数和带负电荷的供体原子的存在的青睐。本文不仅分析了许多具有代表性的配合物，并根据它们的偏心率对它们进行了分类，而且为配位化学家提供了一个简单的工具，使他们可以很容易地将配合物分类为全定向或半定向。

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引用次数: 0

Construction of chlorine-free electrical double layer for efficient seawater oxidation 用于海水高效氧化的无氯电双层结构

IF 20.3 1区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Coordination Chemistry Reviews

Pub Date : 2025-01-21 DOI: 10.1016/j.ccr.2025.216463

Han-Ming Zhang

Seawater electrolysis is an effective means to solve the problems of transport and consumption of offshore wind electricity. The corrosion reaction and chlorine oxidation reaction caused by the existence of chloride in seawater lead to poor electrochemical performances and low efficiencies for seawater oxidation electrocatalysts. Hence, construction of chlorine-free electrical double layer (EDL) has become one hotspot for efficient seawater oxidation. Based on the theories of interfacial electric field, adsorption selectivity, steric hindrance and electrostatic repulsion, six practical strategies have been well developed to construct the chlorine-free EDL, i.e., high-curvature morphology, hard Lewis acid coating, ploy-homoatomic anion, coordinated common ion, oxyanion, and hard Lewis acid with oxyanion. Great progresses have been made in electrocatalyst stability and reaction selectivity. However, five problems still exist limiting the pullulation of seawater oxidation: (i) the constructed EDL not completely chlorine-free. (ii) too simple condition for EDL simulation, (iii) adverse effects of modification components, (iv) lack of influences of adsorbed oxygen-containing intermediates on electrocatalysts, and (v) ignorance of solvated cations and anions in EDL. Finally, five prospects are proposed to propel the developments of chloride-free EDL and seawater electrolysis: (i) combination of multiple strategies for chlorine-free EDL construction, (ii) investigation of dynamical EDL structures by time-responsive information of electrocatalysts and electrolysis interfaces, (iii) precise control of modification components by subtle electrocatalyst preparation and appropriate electrolyte additive, (iv) encompassing oxygen-containing intermediates, and (v) involvement of solvated cations and anions in the simulated EDL. Besides, the understanding of EDL would be deeper, promoting its wide application in the fields of information, energy conversion and storage.

海水电解是解决海上风电运输和消费问题的有效手段。海水中氯离子的存在引起的腐蚀反应和氯氧化反应导致海水氧化电催化剂的电化学性能差，效率低。因此，构建无氯双电层（EDL）已成为海水高效氧化的研究热点之一。基于界面电场、吸附选择性、位阻和静电斥力等理论，提出了高曲率形貌、硬Lewis酸包覆、聚同原子阴离子、配位普通离子、氧阴离子和硬Lewis酸带氧阴离子6种构建无氯EDL的实用策略。在电催化剂稳定性和反应选择性方面取得了很大进展。然而，目前仍存在五个问题限制了海水氧化的发展：(1)建成的EDL不完全无氯。（ii）模拟EDL的条件过于简单，（iii）改性组分的不利影响，（iv）缺乏吸附的含氧中间体对电催化剂的影响，以及(v)忽略EDL中溶剂化的阳离子和阴离子。最后，提出了推动无氯EDL和海水电解发展的五个前景：(i)结合多种策略构建无氯EDL；（ii）通过电催化剂和电解界面的时间响应信息来研究动态EDL结构；（iii）通过精细的电催化剂制备和适当的电解质添加剂来精确控制修饰成分；（iv）包含含氧中间体；(v)在模拟EDL中参与溶剂化的阳离子和阴离子。此外，人们对EDL的理解也会加深，促进其在信息、能量转换和存储等领域的广泛应用。

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引用次数: 0

Recent mitochondria-immobilized fluorescent probes for high-fidelity bioimaging: From design to application 用于高保真生物成像的线粒体固定化荧光探针：从设计到应用

IF 20.3 1区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Coordination Chemistry Reviews

Pub Date : 2025-01-21 DOI: 10.1016/j.ccr.2025.216456

Wenshu Meng , Ran Chen , Qingqing Jang , Kaifu Ma , Dongpeng Li , Haibin Xiao , Weijie Chi , Chaoyuan Zeng , Wei Shu

As a significant organelle, mitochondria play unique and especially essential roles in a variety of cellular activities and metabolism processes. However, the discovery of mitochondria dysfunction is tightly related to many human diseases. Currently, quantities of mitochondria-targetable fluorescent sensors and theranostic agents have been exploited to monitor various biomarkers and disease treatment. Nevertheless, these electrostatic interaction-based vehicles inevitably have a tendency to diffuse away from mitochondrial matrix leading to the inaccurate detection results and unstable localization information. Thus, to enable a precise result with a high-fidelity imaging quality, mitochondria-immobilizable probes are attracting increasing attention due to their mitochondria fixable ability and activatable sensing capability without the influence during mitophagy and depolarization process. In this review, we summarily provided an insight overview into the design strategy of mitochondria-immobilizable probes that have been employed into microenvironment, bioreactive species and enzymes detection and other phototherapy applications. Additionally, we also highlighted the challenges and opportunities of mitochondria-anchored probes in the future. We expected that this review will prompt the development of novel mitochondria-fixable fluorescent probes for better unraveling the important pathological variation and processes in mitochondria as well as other organelles.

线粒体作为一种重要的细胞器，在各种细胞活动和代谢过程中发挥着独特而重要的作用。然而，线粒体功能障碍的发现与许多人类疾病密切相关。目前，大量线粒体靶向荧光传感器和治疗剂已被用于监测各种生物标志物和疾病治疗。然而，这些基于静电相互作用的载体不可避免地具有远离线粒体基质的扩散倾向，导致检测结果不准确，定位信息不稳定。因此，为了获得具有高保真成像质量的精确结果，线粒体固定探针由于其线粒体固定能力和可激活的传感能力而不受线粒体自噬和去极化过程的影响而越来越受到关注。在这篇综述中，我们概述了线粒体固定化探针的设计策略，这些探针已被用于微环境、生物反应物质和酶的检测以及其他光疗应用。此外，我们还强调了线粒体锚定探针在未来的挑战和机遇。我们期望这一综述将促进新的线粒体固定荧光探针的发展，以更好地揭示线粒体和其他细胞器中重要的病理变化和过程。

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引用次数: 0

Modification engineering over single-atom catalysts for efficient heterogeneous photocatalysis 高效多相光催化的单原子催化剂改性工程

IF 20.3 1区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Coordination Chemistry Reviews

Pub Date : 2025-01-21 DOI: 10.1016/j.ccr.2025.216468

Hongda Liu, Weiping Xiong, Chengyun Zhou, Cui Lai, Ling Li, Guangfu Wang, Xiuqin Huo, Guangming Zeng, Min Cheng

Arguably, single-atom catalysts (SACs) have become the most active research direction and a new promising catalytic material in heterogeneous catalysis. Among them, each catalytic unit consists of single metal atom and its surrounding coordination atoms. The alteration of these components will regulate and control the geometrical and electronic structures of SACs, which in turn determine its catalytic activity, selectivity and stability during catalytic processes. In this review, the recently developed modification strategies for SACs are first introduced and classified, with great attention given to how the performance can be further improved by controllably tuning the electronic configuration of the metal centers. The state-of-the-art characterization techniques of experimental (in situ/operando) and computational techniques are discussed, advances in which have made it possible to determine dynamic structural evolution and activation mechanism of SACs. A wide range of applications based on modified SACs in photocatalysis are then elaborately discussed, with attention on the sources of enhanced photocatalytic activity (light-harvesting ability, charge transfer/separation dynamics and surface catalytic reaction kinetics) and reaction mechanisms. Finally, perspectives on the development of modified SACs are provided and prospected, which is hoped to shed some light on the further development of SACs in energy and environmental applications.

可以说，单原子催化剂已成为多相催化中最活跃的研究方向，也是一种极具发展前景的新型催化材料。其中，每个催化单元由单个金属原子及其周围的配位原子组成。这些组分的改变将调节和控制SACs的几何和电子结构，从而决定其催化活性、选择性和催化过程中的稳定性。本文首先介绍和分类了近年来发展起来的改性策略，重点介绍了如何通过可控地调整金属中心的电子结构来进一步提高性能。讨论了实验（原位/操作）和计算技术的最新表征技术，这些技术的进步使得确定SACs的动态结构演变和激活机制成为可能。然后详细讨论了改性SACs在光催化中的广泛应用，重点讨论了增强光催化活性的来源（光收集能力、电荷转移/分离动力学和表面催化反应动力学）和反应机理。最后，对改性活性炭的发展前景进行了展望，希望对今后改性活性炭在能源和环境应用方面的进一步发展有所启示。

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引用次数: 0

Carbon dots-based electrochemical and fluorescent biosensors for the detection of foodborne pathogens: Current advance and challenge 基于碳点的电化学和荧光生物传感器检测食源性病原体：目前的进展和挑战

IF 20.3 1区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Coordination Chemistry Reviews

Pub Date : 2025-01-21 DOI: 10.1016/j.ccr.2025.216457

Qiaowen Lei , Chenghao Liu , Xinru Nan , Yunxiao Zhu , Li Fu , Xiaofeng Lin , Hanqiang Zhang , Min Yang , Xiaojun Fang , Yan Luo , Qitong Huang

Food safety is essential for sustaining a healthy life, with foodborne pathogens representing a principal factor contributing to food safety risks, thereby posing a formidable threat to human health that cannot be overlooked. According to the U.S. Centers for Disease Control statistics, the U.S. has caused a cumulative total of more than 9.6 million foodborne illnesses, a variety of foodborne pathogens enter the human body along with eating, endangering people's physical and mental health, but also add a huge burden on society. Traditional detection techniques are time-consuming, labor-intensive, and heavily dependent on expensive equipment. Therefore, to protect people's lives and health, many scholars around the world have been exploring how to develop efficient, convenient, and low-cost foodborne pathogens detection technologies. In the process of exploration, carbon dots (CDs), as a new type of nanoparticles, have gradually become an excellent choice for pathogenic microbial detection due to their unique optical and physicochemical properties as well as low toxicity. The detection of foodborne pathogens based on CDs can be efficiently achieved through electrochemical or fluorescent biosensors. This review not only elucidates the preparation of CDs but also succinctly summarizes their application in CDs-based electrochemical and fluorescent biosensors for detecting foodborne pathogens. It delves into the underlying working mechanisms, outlines the advantages, and discusses the limitations of these sensors. In addition, the urgent problems that need to be solved in the practical application of CDs-based biosensors and the future exploration directions are also elaborated.

食品安全对于维持健康生活至关重要，食源性病原体是造成食品安全风险的主要因素，因此对人类健康构成不可忽视的巨大威胁。据美国疾病控制中心统计，美国已累计造成960多万例食源性疾病，各种食源性病原体随着饮食进入人体，危害着人们的身心健康，也给社会增加了巨大的负担。传统的检测技术耗时、劳动密集，并且严重依赖昂贵的设备。因此，为了保护人们的生命和健康，如何开发高效、便捷、低成本的食源性致病菌检测技术一直是世界各国学者探索的方向。在探索过程中，碳点（cd）作为一种新型纳米颗粒，因其独特的光学和理化性质以及低毒性，逐渐成为病原微生物检测的优良选择。基于cd的食源性病原体检测可以通过电化学或荧光生物传感器有效地实现。本文综述了CDs的制备方法，并简要介绍了其在基于CDs的电化学和荧光生物传感器检测食源性病原体中的应用。它深入研究了潜在的工作机制，概述了这些传感器的优点，并讨论了这些传感器的局限性。此外，还阐述了基于cd的生物传感器在实际应用中急需解决的问题和未来的探索方向。

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引用次数: 0