The mutation that we report here leads to the deletion of a conserved amino acid (p.Phe125del) from the third LRR motif of the keratocan protein, which might lead to an abnormal tertiary structure of the protein, thereby leading to the disease.

Non covalent interactions are quite common in all kinds of π-systems, such as π-π interactions, long range/short range van der waal force of interactions, ion-π interactions etc. Ab initio calculations are well established and account well for the experimental long range interaction energies for small clusters of aromatic molecules and most of the calculations were carried out using the MPn methods. If a reasonably large basis set is used to calculate the stacking interaction energies for a cluster (dimer, trimer etc.) of aromatic molecules then the electron-electron correlation energy may be properly calculated.Moreover, ab initio calculations for aromatic π-systems show that the calculated stacking interaction energies highly depend on the basis set used and the electron correlation energy. In this investigation, the electron correlation of the stacked hydrated phenol systems has been accounted at MP2 level of calculations. We have calculated the π-π stacking interaction energies of the hydrated phenolic systems with different conformations.

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Articles you may be interested inThe spectral properties of manyelectron atomic Hamiltonians and the method of configuration interaction. III. Compactness proof associated with an infinite system of linear equations for nelectron atomsThe spectral properties of manyelectron atomic Hamiltonians and the method of configuration interaction. II. Compactness proof associated with an infinite system of linear equations for twoelectron atomsIn the method of configuration interaction for atomic structures, the SchrOdinger equation for a many electron atom is reduced to an infinite system of linear equations. The eigenvalue problem associated with the finite system of equations obtained by truncating the infinite system is solved to obtain energy eigenvalues and eigenvectors. It is generally assumed that the truncation procedure is a convergent one in the sense that as one increases the size of the truncated equations. the number of eigenvalues and eigenvectors will increase and tend to those of the original infinite set. It is shown that the method of configuration interaction is a convergent procedure in the sense that given any point E in the spectrum of the Schrodinger Hamiltonian of the many-electron system, there exists an eigenvalue of the truncated matrix which is arbitrarily close to E for a sufficiently large size of the truncated matrix. Further. it is shown that the convergence referred to cannot be uniform.752

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