41 research outputs found
The Higgs mass derived from the U(3) Lie group
The Higgs mass value is derived from a Hamiltonian on the Lie group U(3)
where we relate strong and electroweak energy scales. The baryon states of
nucleon and delta resonances originate in specific Bloch wave degrees of
freedom coupled to a Higgs mechanism which also gives rise to the usual gauge
boson masses. The derived Higgs mass is around 125 GeV. From the same
Hamiltonian we derive the relative neutron to proton mass ratio and the N and
Delta mass spectra. All compare rather well with the experimental values. We
predict scarce neutral flavor baryon singlets that should be visible in
scattering cross sections for negative pions on protons, in photoproduction on
neutrons, in neutron diffraction dissociation experiments and in invariant mass
spectra of protons and negative pions in B-decays. The fundamental predictions
are based on just one length scale and the fine structure constant. More
particular predictions rely also on the weak mixing angle and the up-down quark
flavor mixing matrix element. With differential forms on the measure-scaled
wavefunction, we could generate approximate parton distribution functions for
the u and d valence quarks of the proton that compare well with established
experimental analysis.Comment: 18 pages, 13 figures, 3 table
Analysis of Drug Design for a Selection of G Protein-Coupled Neuro-Receptors Using Neural Network Techniques
Quantum Mechanical Studies of DNA and LNA
Quantum mechanical (QM) methodology has been employed to study the structure activity relations of DNA and locked nucleic acid (LNA). The QM calculations provide the basis for construction of molecular structure and electrostatic surface potentials from molecular orbitals. The topologies of the electrostatic potentials were compared among model oligonucleotides, and it was observed that small structural modifications induce global changes in the molecular structure and surface potentials. Since ligand structure and electrostatic potential complementarity with a receptor is a determinant for the bonding pattern between molecules, minor chemical modifications may have profound changes in the interaction profiles of oligonucleotides, possibly leading to changes in pharmacological properties. The QM modeling data can be used to understand earlier observations of antisense oligonucleotide properties, that is, the observation that small structural changes in oligonucleotide composition may lead to dramatic shifts in phenotypes. These observations should be taken into account in future oligonucleotide drug discovery, and by focusing more on non RNA target interactions it should be possible to utilize the exhibited property diversity of oligonucleotides to produce improved antisense drugs
Electronic Structures of LNA Phosphorothioate Oligonucleotides
Important oligonucleotides in anti-sense research have been investigated in silico and experimentally. This involves quantum mechanical (QM) calculations and chromatography experiments on locked nucleic acid (LNA) phosphorothioate (PS) oligonucleotides. iso-potential electrostatic surfaces are essential in this study and have been calculated from the wave functions derived from the QM calculations that provide binding information and other properties of these molecules. The QM calculations give details of the electronic structures in terms of e.g., energy and bonding, which make them distinguish or differentiate between the individual PS diastereoisomers determined by the position of sulfur atoms. Rules are derived from the electronic calculations of these molecules and include the effects of the phosphorothioate chirality and formation of electrostatic potential surfaces. Physical and electrochemical descriptors of the PS oligonucleotides are compared to the experiments in which chiral states on these molecules can be distinguished. The calculations demonstrate that electronic structure, electrostatic potential, and topology are highly sensitive to single PS configuration changes and can give a lead to understanding the activity of the molecules. Keywords: LNA phosphorothioate, DNA/LNA oligonucleotide, diastereoisomers, Hartree-Fock calculations, iso-potential surface, anion chromatogram