GadoliniumGadolinium is a chemical element with the symbol Gd and atomic number 64. Gadolinium is a silvery-white metal when oxidation is removed. It is only slightly malleable and is a ductile rare-earth element. Gadolinium reacts with atmospheric oxygen or moisture slowly to form a black coating. Gadolinium below its Curie point of is ferromagnetic, with an attraction to a magnetic field higher than that of nickel. Above this temperature it is the most paramagnetic element. It is found in nature only in an oxidized form.
Metal ions in aqueous solutionA metal ion in aqueous solution or aqua ion is a cation, dissolved in water, of chemical formula [M(H2O)n]z+. The solvation number, n, determined by a variety of experimental methods is 4 for Li+ and Be2+ and 6 for most elements in periods 3 and 4 of the periodic table. Lanthanide and actinide aqua ions have higher solvation numbers (often 8 to 9), with the highest known being 11 for Ac3+. The strength of the bonds between the metal ion and water molecules in the primary solvation shell increases with the electrical charge, z, on the metal ion and decreases as its ionic radius, r, increases.
Model categoryIn mathematics, particularly in homotopy theory, a model category is a with distinguished classes of morphisms ('arrows') called 'weak equivalences', 'fibrations' and 'cofibrations' satisfying certain axioms relating them. These abstract from the category of topological spaces or of chain complexes ( theory). The concept was introduced by . In recent decades, the language of model categories has been used in some parts of algebraic K-theory and algebraic geometry, where homotopy-theoretic approaches led to deep results.
Molecular symmetryIn chemistry, molecular symmetry describes the symmetry present in molecules and the classification of these molecules according to their symmetry. Molecular symmetry is a fundamental concept in chemistry, as it can be used to predict or explain many of a molecule's chemical properties, such as whether or not it has a dipole moment, as well as its allowed spectroscopic transitions. To do this it is necessary to use group theory. This involves classifying the states of the molecule using the irreducible representations from the character table of the symmetry group of the molecule.
Weak equivalence (homotopy theory)In mathematics, a weak equivalence is a notion from homotopy theory that in some sense identifies objects that have the same "shape". This notion is formalized in the axiomatic definition of a . A model category is a with classes of morphisms called weak equivalences, fibrations, and cofibrations, satisfying several axioms. The associated of a model category has the same objects, but the morphisms are changed in order to make the weak equivalences into isomorphisms.
Tricapped trigonal prismatic molecular geometryIn chemistry, the tricapped trigonal prismatic molecular geometry describes the shape of compounds where nine atoms, groups of atoms, or ligands are arranged around a central atom, defining the vertices of a triaugmented triangular prism (a trigonal prism with an extra atom attached to each of its three rectangular faces). It is very similar to the capped square antiprismatic molecular geometry, and there is some dispute over the specific geometry exhibited by certain molecules.
Homological algebraHomological algebra is the branch of mathematics that studies homology in a general algebraic setting. It is a relatively young discipline, whose origins can be traced to investigations in combinatorial topology (a precursor to algebraic topology) and abstract algebra (theory of modules and syzygies) at the end of the 19th century, chiefly by Henri Poincaré and David Hilbert. Homological algebra is the study of homological functors and the intricate algebraic structures that they entail; its development was closely intertwined with the emergence of .
Molecular dynamicsMolecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
Protein structureProtein structure is the three-dimensional arrangement of atoms in an amino acid-chain molecule. Proteins are polymers - specifically polypeptides - formed from sequences of amino acids, which are the monomers of the polymer. A single amino acid monomer may also be called a residue, which indicates a repeating unit of a polymer. Proteins form by amino acids undergoing condensation reactions, in which the amino acids lose one water molecule per reaction in order to attach to one another with a peptide bond.
Stability constants of complexesIn coordination chemistry, a stability constant (also called formation constant or binding constant) is an equilibrium constant for the formation of a complex in solution. It is a measure of the strength of the interaction between the reagents that come together to form the complex. There are two main kinds of complex: compounds formed by the interaction of a metal ion with a ligand and supramolecular complexes, such as host–guest complexes and complexes of anions.
