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Polymers

Polymers

The word polymer is derived from the Greek words “poly” which means “many” and “mer” which means “parts”. Polymers are long chains of molecules composed of repeating units of smaller molecules, known as monomers. They either occur naturally, such as DNA and proteins, or can be constructed synthetically, like plastics. They have varied structural characteristics, such as linear chains, branched chains, or complex networks, that contribute to the...

Polymers

Polymers

Proteins: From Genes to Degradation

Proteins: From Genes to Degradation

Within a biological system, the DNA encodes the RNA, and the nucleotide sequence in the RNA further defines the amino acid sequence in the protein. This is referred to as “The Central Dogma of Molecular Biology” - a term coined by Francis Crick. Central dogma is a firm principle in biology that defines the flow of genetic information within any life form. The two fundamental steps in central dogma are - transcription and translation.
Transcription is the synthesis of RNA...

Regulated Protein Degradation

Regulated Protein Degradation

It is vital to regulate the activity of enzymatic as well as non-enzymatic proteins inside the cell. This can be achieved either through creating a balance between their rate of synthesis and degradation or regulating the intrinsic activity of the protein. Both these regulation mechanisms play an essential role in the normal functioning of cells.
Protein degradation plays two important roles in the cells. It helps to protect cells from misfolded or damaged proteins before they lead to a...

The Uncertainty Principle

The Uncertainty Principle

Werner Heisenberg considered the limits of how accurately one can measure properties of an electron or other microscopic particles. He determined that there is a fundamental limit to how accurately one can measure both a particle’s position and its momentum simultaneously. The more accurate the measurement of the momentum of a particle is known, the less accurate the position at that time is known and vice versa. This is what is now called the Heisenberg uncertainty principle. He...

Hardy-Weinberg Principle

Hardy-Weinberg Principle

Diploid organisms have two alleles of each gene, one from each parent, in their somatic cells. Therefore, each individual contributes two alleles to the gene pool of the population. The gene pool of a population is the sum of every allele of all genes within that population and has some degree of variation. Genetic variation is typically expressed as a relative frequency, which is the percentage of the total population that has a given allele, genotype or phenotype.

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Updated: Feb 8, 2026

A Complete Method for Evaluating the Performance of Photocatalysts for the Degradation of Antibiotics in Environmental Remediation

A Complete Method for Evaluating the Performance of Photocatalysts for the Degradation of Antibiotics in Environmental Remediation

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The Effect of Polymer Structures on Complete Degradation: A First-Principles Study.

Yu Zhu^1,2, Depeng Zhang^1,2, Zhanwen Zhang^1,3

¹Institute of Atomic and Molecular Physics Jilin University Changchun 130012 P. R. China.

|June 23, 2018

Summary

Unsaturated hydrocarbon polymers degrade more easily than saturated ones. Understanding polymer linkages, like head-to-head or tail-to-tail, is key to controlling complete polymer degradation for environmental protection.

Keywords:

chain-end saturation degradation first-principles calculations hydrocarbons polymers

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Area of Science:

Polymer Chemistry
Materials Science
Computational Chemistry

Background:

Hydrocarbon polymers are widely used, necessitating research into their degradation mechanisms.
Understanding polymer dissociation is crucial for environmental protection and material lifecycle management.

Purpose of the Study:

Investigate the last-step dissociation characteristics of carbon chain polymers.
Determine the energy barriers for the complete degradation of various polymer structures.
Provide insights into achieving complete polymer degradation.

Main Methods:

Density Functional Theory (DFT) calculations were employed.
All possible polymer structures, including normal and abnormal linkages, were considered.
Analysis of bond characteristics, electronic structures, and spin population was performed.

Main Results:

Unsaturated polymers exhibit significantly lower energy barriers (0.35–1.31 eV) for degradation compared to saturated polymers (3.42–4.78 eV).
The energy barrier for monomer production increases in the order: head-to-head, head-to-tail, and tail-to-tail linkages, regardless of chain-end saturation.
Spin population analysis revealed a net spin transfer during depolymerization.

Conclusions:

Unsaturated polymers are more susceptible to degradation.
Polymer linkage type critically influences the energy barrier for monomer formation.
The findings offer a foundational understanding for controlling polymer degradation processes.