AIMC Topic: Metal-Organic Frameworks

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The SERS method based on the COF-ag substrate, combined with machine learning, is used for the detection of tetracycline and oxytetracycline in milk.

Food chemistry
Tetracycline antibiotics, valued for potent antibacterial effects, are widely used in livestock but raise concerns over unsafe residues in milk. In this study, a surface-enhanced Raman spectroscopy (SERS) method based on an amino-functionalized coval...

Construction of NH-MIL-125@ZnInS Z-Scheme Heterojunctions for Deep-Learning Assisted Photoelectrochemical Sensing of Dopamine.

Langmuir : the ACS journal of surfaces and colloids
Dopamine (DA) plays a pivotal role in modulating various physiological systems. Therefore, the ultrasensitive detection of DA holds substantial importance for the diagnosis and treatment of neurological disorders. Herein, a deep-learning-assisted sma...

Metal-Organic Framework-Based Chemiresistive Array Paired with Machine Learning Algorithms for the Detection and Differentiation of Toxic Gases.

ACS sensors
The development of low-power, sensitive, and selective gas sensors capable of detecting and differentiating toxic gases is pivotal for safety and environmental monitoring. This paper describes a chemiresistive sensor array comprising a series of thre...

Understanding the Role of Noncovalent Interactions in Gas Sensing with Metal-Coordinated Complexes (MCCs).

Topics in current chemistry (Cham)
Gas sensing is vital for environmental monitoring, safety, and healthcare. This review highlights the role of noncovalent interactions, hydrogen bonding, π-π stacking, and electrostatic forces in enhancing the sensitivity and selectivity of metal-coo...

The Black Hole Strategy: Gravity-Based Representative Sampling for Frugal Graph Learning on Metal-Organic Framework Networks.

Journal of chemical information and modeling
The expansion of large-scale materials databases has facilitated the development of graph-based representations, encoding structural and functional similarities as edges in data-driven networks. These enable machine learning models to leverage both l...

Graph-Based Machine Learning Framework for Predicting Hydrogen Storage Capacity in Metal-Organic Frameworks.

Journal of chemical information and modeling
Hydrogen is a clean and high-energy fuel, yet its safe and efficient storage remains a key obstacle to widespread adoption. Metal-organic frameworks (MOFs), with their high surface area and tunable porosity, have emerged as promising candidates for s...

Acetone Gas Sensors for Noninvasive Diabetes Diagnosis: A Comprehensive Review.

Chemical record (New York, N.Y.)
The development of sensors for monitoring breath acetone, a key biomarker for ketosis in diabetes mellitus, represents a critical frontier in medical diagnostics, promising a painless alternative to invasive blood tests. This review provides a compre...

MOFGPT: Generative Design of Metal-Organic Frameworks using Language Models.

Journal of chemical information and modeling
The discovery of Metal-Organic Frameworks (MOFs) with application-specific properties remains a central challenge in materials chemistry, owing to the immense size and complexity of their structural design space. Conventional computational screening ...

Simulation, prediction and optimization of heavy metal adsorption by metal-organic frameworks with machine learning.

Environmental research
The unique structures and complex characteristics of Metal-organic frame (MOFs) obscure understanding the processes and mechanisms of heavy metal (HM) removal. This study established an interpretable machine learning (ML) framework predicting adsorpt...

Integrated deep eutectic solvent with amorphous metal-organic framework for highly sensitive electrochemical determination of dicofol in milk and water.

Food chemistry
High-throughput screening of deep eutectic solvents (DESs) was performed using artificial intelligence/quantum mechanical models. Ni-amorphous metal-organic frameworks (aMOFs) was synthesized through amine-DES aqueous solution. The target-specific DE...