Análisis de las Interacciones entre Inulina, Glucosa y Microbiota Intestinal: un Enfoque desde la Química Cuántica Aplicada

Inulin (INL) is a soluble, non-digestible fiber found in more than 36,000 plant species, primarily in vegetables such as onion, garlic, artichoke, and agave, among others, as a reserve polysaccharide. The molecules under study were constructed using HyperChem software. Quantum calculations were performed using the semiempirical SE-PM3 method, and the Polak–Ribiere conjugate gradient algorithm was used for geometric optimization to locate the state with the lowest formation energy. The results show that INL is primarily an oxidizing agent of amino acids (AAs) in the human body and is therefore a poor antioxidant. Comparative calculations and Morse curves indicate that excess glucose oxidizes INL. As a general conclusion, we find that inulin is blocked oxidatively by excess glucose.

Publication Details

Journal
Dialnet (Universidad de la Rioja)
Published
2025-01-01
Primary Topic
Geochemistry and Geologic Mapping
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article
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article

Análisis de las Interacciones entre Inulina, Glucosa y Microbiota Intestinal: un Enfoque desde la Química Cuántica Aplicada

Dialnet (Universidad de la Rioja)
Geochemistry and Geologic Mapping
article

Análisis de las Interacciones entre Inulina, Glucosa y Microbiota Intestinal: un Enfoque desde la Química Cuántica Aplicada

article en

Abstract

Inulin (INL) is a soluble, non-digestible fiber found in more than 36,000 plant species, primarily in vegetables such as onion, garlic, artichoke, and agave, among others, as a reserve polysaccharide. The molecules under study were constructed using HyperChem software. Quantum calculations were performed using the semiempirical SE-PM3 method, and the Polak–Ribiere conjugate gradient algorithm was used for geometric optimization to locate the state with the lowest formation energy. The results show that INL is primarily an oxidizing agent of amino acids (AAs) in the human body and is therefore a poor antioxidant. Comparative calculations and Morse curves indicate that excess glucose oxidizes INL. As a general conclusion, we find that inulin is blocked oxidatively by excess glucose.

Dialnet (Universidad de la Rioja)
Openalex Percentile: Top 64%
Geochemistry and Geologic Mapping
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Análisis de las Interacciones entre Inulina, Glucosa y Microbiota Intestinal: un Enfoque desde la Química Cuántica Aplicada · Dialnet (Universidad de la Rioja) (2025) | TGRS Research Map | TGRS