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Related Concept Videos

Polymers: Molecular Weight Distribution01:10

Polymers: Molecular Weight Distribution

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For any given polymer, the weight average molecular weight (Mw) is higher than, if not equal to, the number average molecular weight (Mn). The only situation in which the weight average molecular weight and the number average molecular weight are equal is when a polymer consists only of chains with equal molecular weight. However, this never happens in a synthetic polymer, since it is difficult to control the polymerization process up to a molecular level with accuracy to a hundred percent.
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Stability of Substituted Cyclohexanes02:30

Stability of Substituted Cyclohexanes

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This lesson discusses the stability of substituted cyclohexanes with a focus on energies of various conformers and the effect of 1,3-diaxial interactions.
The two chair conformations of cyclohexanes undergo rapid interconversion at room temperature. Both forms have identical energies and stabilities, each comprising equal amounts of the equilibrium mixture. Replacing a hydrogen atom with a functional group makes the two conformations energetically non-equivalent.
For example, in...
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Characteristics and Nomenclature of Homopolymers01:00

Characteristics and Nomenclature of Homopolymers

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Polymers that are made up of identical monomer units are called homopolymers. Only one repeating unit is involved in the construction of the homopolymer structure. For example, as depicted in Figure 1, polypropylene is a homopolymer constituted of propylene monomers. Here, the only repeating unit in the polymer chain is propylene.
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Factors Affecting Dissolution: Polymorphism, Amorphism and Pseudopolymorphism01:21

Factors Affecting Dissolution: Polymorphism, Amorphism and Pseudopolymorphism

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Polymorphism refers to the existence of a drug substance in multiple crystalline forms, known as polymorphs. Recently, this term has been expanded to include solvates (forms containing a solvent), amorphous forms (non-crystalline forms), and desolvated solvates (forms from which the solvent has been removed).
Some polymorphic crystals possess lower aqueous solubility than their amorphous counterparts, leading to incomplete absorption. For instance, the oral suspension of Chloramphenicol, which...
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Polymer Classification: Crystallinity01:21

Polymer Classification: Crystallinity

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Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
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Molecular Weight of Step-Growth Polymers01:08

Molecular Weight of Step-Growth Polymers

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Step growth polymerization involves bi or multifunctional monomers. Bifunctional monomers react to form linear step growth polymers, whereas multifunctional monomers react to form non-linear or branched polymers.
As the step-growth polymerization involves step-wise condensation of monomers, the molecular weight also builds up eventually. Consequently, high molecular weight polymers are obtained at the late stages of the polymerization, where 99% of monomers have been consumed.
The extent of the...
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Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
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Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level

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Exploring physicochemical characteristics of cyclodextrin through M-polynomial indices.

Abdul Rauf1, Muhammad Naeem2, Rahila Ramzan1

  • 1Department of Mathematics, Air University Multan Campus, Multan, Pakistan.

Scientific Reports
|August 28, 2024
PubMed
Summary

This study uses M-polynomials to analyze cyclodextrin

Keywords:
Chemical graph theoryCyclodextrinDegree-based M-polynomial indicesPhysic-chemical characteristics

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Area of Science:

  • Medicinal Chemistry
  • Computational Chemistry
  • Drug Discovery

Background:

  • Cyclodextrin is a key anti-tumor agent for ovarian and breast cancers, but faces challenges like poor solubility and drug resistance.
  • Biocompatible substrate combinations offer a strategy to improve cyclodextrin's therapeutic potential.
  • Understanding cyclodextrin's atomic structure and physicochemical properties is crucial for optimizing drug delivery and efficacy.

Purpose of the Study:

  • To compute degree-based and neighbor degree-based topological indices of cyclodextrin using algebraic polynomials (M-polynomials).
  • To elucidate cyclodextrin's structural characteristics and physicochemical behavior through topological indices.
  • To explore the relationship between these indices and the therapeutic efficacy of cyclodextrin-based drugs.

Main Methods:

  • Utilized algebraic polynomials, specifically the degree-based M-polynomial and neighbor degree-based M-polynomial.
  • Computed degree-based and neighbor degree-based topological indices for cyclodextrin.
  • Employed graphical representations to visualize and interpret molecular structure.

Main Results:

  • Successfully computed various degree-based and neighbor degree-based topological indices for cyclodextrin.
  • Established a significant relationship between the computed topological indices and the physicochemical characteristics of antiviral drugs.
  • Demonstrated the utility of these indices as predictive tools for drug properties.

Conclusions:

  • Topological indices derived from M-polynomials offer valuable insights into cyclodextrin's structure-property relationships.
  • These findings can guide the design of novel cyclodextrin-based drug delivery systems with enhanced solubility and efficacy.
  • The study highlights the potential of computational methods in predicting therapeutic benefits and improving drug development.