Related Experiment Video
Updated: Feb 16, 2026
10:41
Identifying Amino Acid Overproducers Using Rare-Codon-Rich Markers
Published on: June 24, 2019
8.8K
Hydration of copper(II) amino acids complexes
Mikhail S Bukharov1, Valery G Shtyrlin1, Edward M Gilyazetdinov1
1Kazan Federal University, A. M. Butlerov Chemistry Institute, 18 Kremlevskaya St, Kazan, 420008, Russian Federation.
Journal of Computational Chemistry
|December 29, 2017
Summary
This study used computational methods to investigate copper(II) hydration shells with amino acids. Ligand structure and isomerism influence water molecule interactions and copper coordination.
Area of Science:
- Inorganic Chemistry
- Computational Chemistry
- Biophysical Chemistry
Background:
- Copper(II) bis-complexes with amino acids are relevant in biological systems.
- Understanding their hydration is crucial for elucidating their function.
Purpose of the Study:
- To investigate the hydration shells of copper(II) bis-complexes with glycine, serine, lysine, and aspartic acid.
- To analyze the influence of ligand functional groups and cis-trans isomerism on hydration dynamics.
Main Methods:
- Density Functional Theory (DFT) calculations.
- Molecular Dynamics (MD) simulations.
- Comparison with Nuclear Magnetic Resonance (NMR) relaxation data.
Main Results:
- Calculated distances, water molecule numbers, and residence times in hydration shells.
- Demonstrated good agreement between DFT, MD, and NMR relaxation methods.
- Revealed competition for copper(II) axial positions, suggesting pentacoordination.
Conclusions:
- Ligand structure and isomerism significantly impact copper(II) hydration shell properties.
- Pentacoordination of copper(II) is confirmed, with one axial position predominantly occupied.
- Computational methods provide reliable insights into complex hydration dynamics.
Related Concept Videos
03:42Amino acids
106.6K
Amino acids are the monomers that comprise proteins. Each amino acid has the same fundamental structure, which consists of a central carbon atom, or the alpha (α) carbon, bonded to an amino group (NH2), a carboxyl group (COOH), and to a hydrogen atom. Every amino acid also has another atom or group of atoms bonded to the central atom known as the R group. There are 20 common amino acids present in proteins, each with a different R group. Variation in the amino acid sequence is responsible for...
106.6K
01:18Amino Acid Catabolism
1.3K
Microorganisms rely on proteins as an essential carbon and energy source, particularly in environments with limited polysaccharides or lipids. However, proteins are too large to cross the plasma membrane unaided, necessitating enzymatic degradation. Microbes secrete extracellular proteases and peptidases that hydrolyze proteins into peptides, which can then be transported across the membrane. Once inside the cell, intracellular proteases degrade these peptides into free amino acids, which...
1.3K
02:45Acid-Catalyzed Hydration of Alkenes
17.6K
Alkenes react with water in the presence of an acid to form an alcohol. In the absence of acid, hydration of alkenes does not occur at a significant rate, and the acid is not consumed in the reaction. Therefore, alkene hydration is an acid-catalyzed reaction.
17.6K
01:29Amino Acid Biosynthetic Pathways
1.4K
Amino acid biosynthesis is essential for cell growth, protein synthesis, and metabolic regulation. Cells generate essential and non-essential amino acids from metabolic intermediates to sustain vital biological functions. These intermediates originate from key metabolic pathways: glycolysis, the tricarboxylic acid (TCA) cycle, and the pentose phosphate pathway. Important precursors include α-ketoglutarate, pyruvate, oxaloacetate, phosphoenolpyruvate, and erythrose-4-phosphate, which...
1.4K
02:34Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration
9.7K
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.
9.7K
02:40Alkynes to Aldehydes and Ketones: Acid-Catalyzed Hydration
11.0K
Introduction
Analogous to alkenes, alkynes also undergo acid-catalyzed hydration. While the addition of water to an alkene gives an alcohol, hydration of alkynes produces different products such as aldehydes and ketones.
Analogous to alkenes, alkynes also undergo acid-catalyzed hydration. While the addition of water to an alkene gives an alcohol, hydration of alkynes produces different products such as aldehydes and ketones.
11.0K