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Related Concept Videos

Complexation Equilibria: The Chelate Effect01:19

Complexation Equilibria: The Chelate Effect

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In complexation reactions, metal atoms or cations interact with ligands to form donor-acceptor adducts called metal complexes. Ligands that bind through one donor site are monodentate, ligands with two donor sites are bidentate, and those with more than two donor sites are polydentate ligands. For example, ethylene diamine is a bidentate ligand that binds through two nitrogen donor atoms, forming a five-membered ring. EDTA is a polydentate ligand that binds through four oxygen and two nitrogen...
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Polydentate ligands are most widely used in complexometric titrations because they form more stable complexes with the metal ions than mono- or bidentate ligands due to the chelate effect. Examples of polydentate ligands are ethylenediaminetetraacetic acid (EDTA), crown ethers, and cryptands. The most important feature of optimal polydentate ligands is the ability to form 1:1 complexes in a single-step process. Amino carboxylic acid derivatives are frequently used as complexing agents. EDTA is...
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Complexometric Titration: Ligands00:43

Complexometric Titration: Ligands

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Different monodentate and polydentate ligands are used as complexing agents in complexometric titration reactions. The formation of complexes by mono- and bidentate ligands involves two or more intermediate steps, limiting their use as complexing agents. In comparison, polydentate ligands can form complexes with metal ions in a single-step process, facilitating sharper end points. This means polydentate ligands, such as amino carboxylic acid derivatives, are most commonly employed in...
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Complexation Equilibria: Factors Influencing Stability of Complexes01:09

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In complexation reactions, metal cations are the electron pair acceptors, and the ligands are the electron pair donors. The stability of the metal complexes depends primarily on the complexing ability of the central metal ion and the nature of the ligands. Generally, the complexing ability of the metal ion depends on the size and charge of the ion. As the metal ion size increases, the stability of the metal complexes decreases, provided that the valency of the metal ion and the ligands remain...
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Metal-Ligand Bonds02:51

Metal-Ligand Bonds

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The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
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Microtubules are dynamic structures that undergo cycles of catastrophe and rescue. The microtubules play a central role in cell division by forming the spindle apparatus for segregating the chromosomes. This makes them ideal targets for regulating dividing cells in tumors and malignant cancer cells. Microtubule stabilizing drugs help stabilize the microtubule formation and promote its polymerization. Paclitaxel was the first microtubule stabilizing agent used as anticancer drug in chemotherapy...
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Metal Complexation for the Rational Design of Gemcitabine Formulations in Cancer Therapy.

Federica Carnamucio1, Claudia Foti2, Massimiliano Cordaro2

  • 1Department of Pharmaceutics and Center for Pharmaceutical Engineering and Sciences - School of Pharmacy, Virginia Commonwealth University, Richmond, Virginia 23284, United States.

ACS Applied Materials & Interfaces
|October 8, 2024
PubMed
Summary

This study introduces metal-gemcitabine complexation to improve chemotherapy delivery. Metal-gemcitabine complexes enhance gemcitabine

Keywords:
Ca2+DFT calculation, ab initioMn2+, Zn2+cancer therapygemcitabinemetal complexation

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Area of Science:

  • Nanomedicine and Drug Delivery
  • Computational Chemistry
  • Materials Science

Background:

  • Gemcitabine (a chemotherapy drug) has poor stability and pharmacokinetics, limiting its effectiveness.
  • Current gemcitabine nanoformulations struggle with drug loading and controlled release.
  • Novel strategies are needed to improve gemcitabine delivery for cancer therapy.

Purpose of the Study:

  • To develop a novel strategy for gemcitabine nanoformulation using metal complexation.
  • To investigate the interaction between gemcitabine and biorelevant metal cations (Mn2+, Zn2+, Ca2+).
  • To optimize conditions for metal-gemcitabine complexation for improved nanoformulation development.

Main Methods:

  • Speciation studies to analyze gemcitabine-metal interactions under varying conditions (temperature, pH, molar ratio).
  • Density functional theory (DFT) calculations to understand interaction mechanisms at the atomic level.
  • Spin-polarized ab initio molecular dynamics simulations to provide atomistic insights into interactions.

Main Results:

  • Metal-gemcitabine complexation was explored with Mn2+, Zn2+, and Ca2+.
  • Optimized conditions for metal-gemcitabine interactions were identified.
  • Mn2+-gemcitabine species maintained gemcitabine's biological activity in vitro.

Conclusions:

  • Metal-gemcitabine complexation is a promising strategy for developing advanced nanoformulations.
  • This approach can lead to improved quality target product profiles for gemcitabine nanoformulations.
  • The findings suggest potential for enhanced cancer treatment efficacy, pharmacokinetics, and reduced toxicity.