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Hydrogen Bonds01:04

Hydrogen Bonds

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A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
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Hydrogen Bonds00:26

Hydrogen Bonds

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Hydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.
Hydrogen Bonds Control the World!
Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are unequally shared....
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Cohesion01:07

Cohesion

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Cohesion is the attraction between molecules of the same type, such as water molecules. Water molecules have an overall neutral charge but are polar molecule. An oxygen atom in one water molecule has a partial negative charge that can bind to a hydrogen atom with a partial positive charge in a second water molecule, forming a hydrogen bond. Each water molecule can form up to four hydrogen bonds with other water molecules. Hydrogen bonds are responsible for water's cohesive nature.
On a...
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Intermolecular Forces03:13

Intermolecular Forces

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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...
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Surface Tension, Capillary Action, and Viscosity02:57

Surface Tension, Capillary Action, and Viscosity

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Surface Tension
The various IMFs between identical molecules of a substance are examples of cohesive forces. The molecules within a liquid are surrounded by other molecules and are attracted equally in all directions by the cohesive forces within the liquid. However, the molecules on the surface of a liquid are attracted only by about one-half as many molecules. Because of the unbalanced molecular attractions on the surface molecules, liquids contract to form a shape that minimizes the number...
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Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration02:34

Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration

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The rate of acid-catalyzed hydration of alkenes depends on the alkene's structure, as the presence of alkyl substituents at the double bond can significantly influence the rate.
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Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
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Hydrogen bond directed surface dynamics at tactic poly(methyl methacrylate)/water interface.

Kshitij C Jha1, Selemon Bekele, Ali Dhinojwala

  • 1Department of Polymer Science, The University of Akron, Akron, Ohio 44325, USA. mtsige@uakron.edu.

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Summary
This summary is machine-generated.

Poly(methyl methacrylate) (PMMA) tacticity influences water interactions. Isotactic and atactic PMMA exhibit slower water relaxation times, impacting adhesion and biocompatibility in soft materials.

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Area of Science:

  • Soft Material Science
  • Polymer Physics
  • Surface Chemistry

Background:

  • Poly(methyl methacrylate) (PMMA) is a versatile polymer used in various applications.
  • Understanding the interfacial behavior of PMMA with water is crucial for its application in biomedical devices and coatings.
  • Polymer tacticity, the spatial arrangement of side groups, can significantly influence material properties.

Purpose of the Study:

  • To investigate the effect of PMMA tacticity on the ordering and dynamics of water molecules at the polymer-water interface.
  • To quantify the hydrogen bonding interactions between water and different PMMA tacticity forms.
  • To elucidate the role of tacticity in controlling adhesion and biocompatibility.

Main Methods:

  • All-atom molecular dynamics simulations were employed.
  • Validated force fields were used to model the system.
  • Analysis focused on hydrogen bond dynamics, relaxation times, and interaction energies.

Main Results:

  • Isotactic and atactic PMMA showed a 33% longer water relaxation time compared to syndiotactic PMMA for hydrogen-bonded water molecules.
  • Approximately 94% of hydrogen bonds formed between water and the carbonyl groups of PMMA.
  • Atactic PMMA exhibited ~20% higher interaction energies for carbonyl group-water hydrogen bonds, suggesting cooperative effects.

Conclusions:

  • PMMA tacticity significantly affects water molecule dynamics at the interface.
  • Hydrogen bonding with carbonyl groups is dominant, irrespective of temperature and tacticity.
  • The observed differences in dynamics and interaction energies highlight the importance of tacticity in tailoring PMMA for specific applications requiring controlled adhesion and biocompatibility.