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Adhesion

Adhesion

Adhesion occurs when one type of molecule is attracted to a different molecule. Water exhibits adhesive properties in the presence of polar surfaces, such as glass or cellulose in plants. For instance, when water is poured into a glass, the positively charged hydrogen molecules of water are more attracted to the negatively charged oxygen molecules in the silica than to the oxygen in neighboring water molecules.
Capillary action is a result of water’s adhesive tendencies. When a narrow glass...

Dehydration Synthesis

Dehydration Synthesis

Dehydration synthesis (also called a condensation reaction) is the chemical process in which two molecules covalently link together to form a new molecule, along with the release of a water molecule. Many physiologically important compounds form by dehydration synthesis reactions, such as complex carbohydrates, proteins, DNA, and RNA.Synthesis of carbohydratesSugar molecules are covalently linked together by dehydration synthesis. During the reaction, the hydroxyl (-OH) group from one reactant...

Pinocytosis

Pinocytosis

Cells use energy-requiring bulk transport mechanisms to transfer large particles, or large amounts of small particles, into or out of the cell. The cells envelop the particles in spherical membranes called vesicles or vacuoles. Vesicles that transport material into the cell are built from the cell membrane. These vesicles encapsulate external molecules and transport them into the cell in a process called endocytosis.

Xylem and Transpiration-driven Transport of Resources

Xylem and Transpiration-driven Transport of Resources

The xylem of vascular plants distributes water and dissolved minerals that are taken up by the roots to the rest of the plant. The cells that transport xylem sap are dead upon maturity, and the movement of xylem sap is a passive process.

Intermolecular Forces

Intermolecular Forces

Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen bonds, and dispersion...

Pinocytosis

Pinocytosis

Cells use energy-requiring bulk transport mechanisms to transfer large particles or large numbers of small particles into or out of the cell. The cells envelop the particles in spherical membranes called vesicles or vacuoles. Vesicles that transport material into the cell are built from the cell membrane. These vesicles encapsulate external molecules and transport them into the cell in a process called endocytosis.
Pinocytosis ("cellular drinking") is one of three main types of endocytosis. In...

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La adsorción de moléculas de agua en los dipeptidos protonados.

Motoya Kohtani¹, Gary A Breaux, Martin F Jarrold

¹Chemistry Department, Indiana University, 800 East Kirkwood Avenue, Bloomington, Indiana 47405, USA.

Journal of the American Chemical Society

|January 30, 2004

Resumen

En este estudio se midió la adsorción de moléculas de agua en dipeptidos protonados, encontrando interacciones complejas que implican cambios conformacionales. Los cálculos se alinean con los valores de entalpía y entropía experimentales, revelando cómo el agua afecta los sitios de protonación.

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Área de la Ciencia:

Química Física es la química física.
Química computacional es la química computacional.
Química biofísica y bioquímica.

Sus antecedentes:

Los dipeptídeos protonados exhiben un comportamiento conformacional complejo.
Comprender las interacciones péptido-agua es crucial para los sistemas biológicos.

Objetivo del estudio:

Para medir y calcular la termodinámica de la primera adsorción de la molécula de agua en los dipeptidos protonados.
Para investigar los cambios conformacionales y la estabilización del sitio de protonación tras la adsorción de agua.

Principales métodos:

Medición experimental de las constantes de equilibrio en función de la temperatura.
Teoría funcional de densidad (DFT) y métodos computacionales MP2 para el análisis de complejos péptido-agua.
Análisis de conformación de péptidos no solvados e hidratados.

Principales resultados:

Determinación experimental de la entalpía (DeltaH(o)) y la entropía (DeltaS(o)) para la adsorción de agua.
Los cálculos revelaron múltiples conformaciones de baja energía tanto para péptidos como para sus complejos de agua.
La adsorción de agua implica cambios conformacionales significativos, estabilizando el sitio de protonación del extremo N.

Conclusiones:

La adsorción de agua en los dipeptidos protonados es un proceso complejo influenciado por la estructura del péptido.
Los métodos computacionales proporcionan información valiosa sobre los datos termodinámicos experimentales.
Interacciones específicas, como las interacciones de aminas secundarias y catión-pi, modulan la entalpía de adsorción.