Data‐Driven Innovation in Metal‐Organic Frameworks Photocatalysis: Bridging Gaps for CO2 Capture and Conversion with FAIR Principles DOI Creative Commons
Claudia Bizzarri, Manuel Tsotsalas

Advanced Energy and Sustainability Research, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 30, 2024

Metal‐organic frameworks (MOFs) have emerged as key materials for carbon capture and conversion, particularly in photocatalytic CO 2 reduction. However, inconsistent reporting of essential parameters the literature hinders informed decisions about material selection optimization. This perspective highlights need a user‐friendly, centralized database supported by automated data extraction using natural language processing tools to streamline comparisons MOF materials. By consolidating crucial from scientific literature, such promotes efficient decision‐making utilization. Emphasizing significance open‐source initiatives principles FAIR data—ensuring are Findable, Accessible, Interoperable, Reusable—a collaborative approach management sharing is advocated for. Making database‐accessible worldwide enhances quality reliability, fostering innovation progress conversion Additionally, databases valuable creating artificial intelligence assist researchers discovery synthesis conversion.

Language: Английский

A critical review on the modification and application of MOF-808 frameworks DOI
M. D. Sameena Begum, Guanghui Wang, Abdul Saboor

et al.

Separation and Purification Technology, Journal Year: 2025, Volume and Issue: unknown, P. 133046 - 133046

Published: April 1, 2025

Language: Английский

Citations

0

Intelligent Systems for Inorganic Nanomaterial Synthesis DOI Creative Commons

Cunhao Han,

Xinghua Dong, Wang Zhang

et al.

Nanomaterials, Journal Year: 2025, Volume and Issue: 15(8), P. 631 - 631

Published: April 21, 2025

Inorganic nanomaterials are pivotal foundational materials driving traditional industries’ transformation and emerging sectors’ evolution. However, their industrial application is hindered by the limitations of conventional synthesis methods, including poor batch stability, scaling challenges, complex quality control requirements. This review systematically examines strategies for constructing automated systems to enhance production efficiency inorganic nanomaterials. Methodologies encompassing hardware architecture design, software algorithm optimization, artificial intelligence (AI)-enabled intelligent process analyzed. Case studies on quantum dots gold nanoparticles demonstrate enhanced closed-loop machine learning-enabled autonomous optimization parameters. The study highlights critical role automation, technologies, human–machine collaboration in elucidating mechanisms. Current challenges cross-scale mechanistic modeling, high-throughput experimental integration, standardized database development discussed. Finally, prospects AI-driven envisioned, emphasizing potential accelerate novel material discovery revolutionize nanomanufacturing paradigms within framework AI-plus initiatives.

Language: Английский

Citations

0

Highly effective microporous and mesoporous metal–organic frameworks for effective ivermectin adsorption in water treatment and delivery systems DOI Creative Commons

Ola Gamal,

Walaa A. Moselhy, Mohamed Taha

et al.

RSC Advances, Journal Year: 2025, Volume and Issue: 15(18), P. 13924 - 13939

Published: Jan. 1, 2025

Metal-organic frameworks (MOFs) are an emerging class of materials with exceptional porosity and tunable structures, making them highly effective for adsorbing harmful impurities from water. These properties render MOFs particularly suitable environmental remediation. However, evaluating all available is impractical due to their vast number. To address this, we employed computational screening using Grand Canonical Monte Carlo (GCMC) simulations on a database over 14 000 identify the most promising candidates antiparasitic drug (ivermectin, IVM) adsorption, delivery, membrane filtration. The GCMC identified 584 potential applications. Among them, 147 demonstrated strong IVM adsorption capabilities, delivery remaining 437 exhibited ideal filtration, specifically reverse osmosis nanofiltration separate IVM. loading capacity isosteric heat at 101.325 kPa 298 K were calculated correlated various structural properties, including largest void diameter, pore-limiting accessible volume, density, helium fraction. Molecular dynamics performed understand mechanism.

Language: Английский

Citations

0

From pages to patterns: Towards extracting catalytic knowledge from structure and text for transition-metal complexes and metal-organic frameworks DOI Creative Commons
Aditya Nandy

Journal of Catalysis, Journal Year: 2025, Volume and Issue: unknown, P. 116174 - 116174

Published: May 1, 2025

Language: Английский

Citations

0

High-throughput screening of nano-hybrid metal-organic-frameworks for photocatalytic CO2 reduction DOI

Moin Khwaja,

Takuya Harada

Materials Horizons, Journal Year: 2024, Volume and Issue: 11(18), P. 4311 - 4320

Published: Jan. 1, 2024

Novel method of screening large-scale material databases to discover novel heterogeneous core@metal–organic-framework photocatalysts that are synthesizable, utilize visible light, band aligned, and water stable.

Language: Английский

Citations

3

Metal–Organic Frameworks for Sustainable Crop Disease Management: Current Applications, Mechanistic Insights, and Future Challenges DOI
Yuanbo Li, Mingshu Li, Noman Shakoor

et al.

Journal of Agricultural and Food Chemistry, Journal Year: 2024, Volume and Issue: 72(42), P. 22985 - 23007

Published: Oct. 9, 2024

Efficient management of crop diseases and yield enhancement are essential for addressing the increasing food demands due to global population growth. Metal-organic frameworks (MOFs), which have rapidly evolved throughout 21st century, notable their vast surface area, porosity, adaptability, establishing them as highly effective vehicles controlled drug delivery. This review methodically categorizes common MOFs employed in disease details effectiveness against various pathogens. Additionally, by critically evaluating existing research, it outlines strategic approaches design drug-delivery explains mechanisms through enhance resistance. Finally, this paper identifies current challenges MOF research suggests directions future research. Through in-depth review, seeks enrich understanding applications offers valuable insights researchers practitioners.

Language: Английский

Citations

3

Precision-engineered metal–organic frameworks: fine-tuning reverse topological structure prediction and design DOI Creative Commons
Xiaoyu Wu, Jianwen Jiang

Chemical Science, Journal Year: 2024, Volume and Issue: 15(40), P. 16467 - 16479

Published: Jan. 1, 2024

Digital discoveries of metal-organic frameworks (MOFs) have been significantly advanced by the reverse topological approach (RTA). The node-and-linker assembly strategy allows predictable reticulations predefined

Language: Английский

Citations

1

Data‐Driven Innovation in Metal‐Organic Frameworks Photocatalysis: Bridging Gaps for CO2 Capture and Conversion with FAIR Principles DOI Creative Commons
Claudia Bizzarri, Manuel Tsotsalas

Advanced Energy and Sustainability Research, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 30, 2024

Metal‐organic frameworks (MOFs) have emerged as key materials for carbon capture and conversion, particularly in photocatalytic CO 2 reduction. However, inconsistent reporting of essential parameters the literature hinders informed decisions about material selection optimization. This perspective highlights need a user‐friendly, centralized database supported by automated data extraction using natural language processing tools to streamline comparisons MOF materials. By consolidating crucial from scientific literature, such promotes efficient decision‐making utilization. Emphasizing significance open‐source initiatives principles FAIR data—ensuring are Findable, Accessible, Interoperable, Reusable—a collaborative approach management sharing is advocated for. Making database‐accessible worldwide enhances quality reliability, fostering innovation progress conversion Additionally, databases valuable creating artificial intelligence assist researchers discovery synthesis conversion.

Language: Английский

Citations

0