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Olefin Metathesis Polymerization: Ring-Opening Metathesis Polymerization (ROMP)

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Ring-opening metathesis polymerization or ROMP involves strained cycloalkenes as starting materials. The mechanism of ROMP proceeds by reacting cycloalkene with Grubbs catalyst to give metallacyclobutane intermediate which undergoes a ring-opening reaction to form new carbene. The new carbene reacts with another molecule of cycloalkene. Repetition of these steps leads to the formation of an unsaturated open-chain polymer product. All these steps are reversible, however, relieving the ring...

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Positive Regulator Molecules

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Mitotic cell division results in daughter cells that exactly resemble the parent cell. However, errors in the DNA replication or distribution of genetic material may lead to genetic mutations that may be passed down to every new cell formed from the resulting abnormal cell. Propagation of such mutant cells is restricted through checkpoint mechanisms present at different stages of the cell cycle. These checkpoints involve regulator molecules that either promote or demote cell cycle events.

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Chain-growth or addition polymerization is successive addition reactions of monomers with a polymer chain. In radical chain-growth polymerization, the reaction proceeds via a free-radical intermediate. The free radical is formed from radical initiators, which spontaneously generate free radicals by homolytic fission. Organic peroxides (such as dibenzoyl peroxide, as shown in Figure 1) or azo compounds are popular radical initiators. A low concentration ratio of radical initiator to monomer is...

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Related Experiment Video

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Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

Published on: April 13, 2022

OMG: Open Molecule Generator.

Julio E Peironcely¹, Miguel Rojas-Chertó, Davide Fichera

¹Leiden/Amsterdam Center for Drug Research, Leiden University, Einsteinweg 55, 2333, CC, Leiden, The Netherlands. Jean-Loup.Faulon@issb.genopole.fr.

Journal of Cheminformatics

|September 19, 2012

Summary

The Open Molecule Generator (OMG) is a new open-source tool that creates all possible chemical structures for a given elemental composition. This computational chemistry software aids in identifying unknown compounds, particularly in metabolomics.

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Last Updated: May 18, 2026

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Published on: April 13, 2022

Generation of Dynamical Environmental Conditions using a High-Throughput Microfluidic Device

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Published on: April 17, 2021

High-throughput Protein Expression Generator Using a Microfluidic Platform

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Published on: August 23, 2012

Area of Science:

Computational Chemistry
Cheminformatics
Metabolomics

Background:

Computer-Assisted Structure Elucidation (CASE) is crucial for identifying unknown compounds.
Existing tools may lack completeness or chemical validity in structure generation.

Purpose of the Study:

Introduce the Open Molecule Generator (OMG), the first open-source chemical structure generator.
Enable the generation of all non-isomorphic chemical structures from elemental composition, with optional substructure constraints.

Main Methods:

OMG utilizes a modified Canonical Augmentation Path algorithm.
It generates and validates unique chemical structures by adding bonds incrementally.
Benchmarking involved comparing OMG with a commercial generator for metabolite-derived formulas.

Main Results:

OMG generated all chemically valid structures for C, O, H compositions, matching commercial tools.
For C, O, H, N, P, S compositions, OMG produced all valid molecules, unlike a commercial tool that generated invalid ones.
OMG's completeness is achieved at a slower processing speed compared to the commercial alternative.

Conclusions:

OMG provides a comprehensive and chemically valid set of structures, especially valuable when using substructure constraints.
The open-source nature of OMG allows for customization and future development.
OMG is expected to significantly advance metabolomics research by addressing the bottleneck of unknown metabolite identification.