Transition Metal Chelation Effect in MOF-253 Materials: Guest Molecule Adsorption Dynamics and Proposed Formic Acid Synthesis Investigated by Atomistic Simulations.

Meng-Chi Hsieh, Wei-Lun Liang, Chun-Chih Chang, Ming-Kang Tsai

Abstract read

In one paragraph

Article in Molecules (Basel, Switzerland), 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it

0cells of the map it votes in

1citing papers in PubMed

–field-weighted citation impact

1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

A Review of Ammonia (NH3) Adsorption in Porous Solids.Chemical reviews · 2026
Article

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

4 authors.

Meng-Chi HsiehIntelligent Computing for Sustainable Development Research Center, Department of Chemistry, National Taiwan Normal University, Taipei 11677, Taiwan.ORCID 0009-0007-2047-7315

Wei-Lun LiangIntelligent Computing for Sustainable Development Research Center, Department of Chemistry, National Taiwan Normal University, Taipei 11677, Taiwan.

Chun-Chih ChangDepartment of Chemical and Materials Engineering, Chinese Culture University, Taipei 11114, Taiwan.

Ming-Kang TsaiIntelligent Computing for Sustainable Development Research Center, Department of Chemistry, National Taiwan Normal University, Taipei 11677, Taiwan.ORCID 0000-0001-9189-5572

Funding

National Science and Technology Council of Taiwan 112-2113-M-003-019

6 · The paper itself

Abstract

The dynamic characterization of guest molecules in the metal-organic frameworks (MOFs) can always provide the insightful and inspiring information to facilitate the synthetic design of MOF materials from the bottom-up design of perspective. Herein, we present a series of atomistic molecular dynamics simulation for investigating the bipyridine dicarboxylate (bpydc) linker rotation effect on guest molecule adsorption with and without considering the transition metal (TM) chelation in MOF-253 materials. The simulated PXRD patterns of the various linker orientations present the challenge of distinguishing these structural varieties by the conventional crystalline spectroscopic measurements. The observed short inter-TM stable structure may subsequently lead to the formation of a binuclear TM catalytic site, and a proposed formic acid generation mechanism from CO

Indexed as

atomistic simulationCO2 reductionmetal–organic framework

Identifiers

PMID38999163

DOI10.3390/molecules29133211

PMCPMC11243041

What OpenQuestion holds

Textmetadata

LicenceCC BY

Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.