197 research outputs found

    Microwave-enhanced folding and denaturation of globular proteins

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    The Higgs mass derived from the U(3) Lie group

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    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

    Nuclear phenomena derived from quark-gluon strings

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    We propose a QCD based many-body model for the nucleus where the strong coupling regime is controlled by a three body string force and the weak coupling regime is dominated by a pairing force. This model operates effectively with a quark-gluon Lagrangian containing a pairing force from instantons and a baryonic string term which contains a confining potential. The unified model for weak and strong coupling regimes, is, however, only consistent at the border of perturbative QCD. The baryonic string force is necessary, as a {stability and} compressibility analysis shows, for the occurrence of the phases of nuclear matter. The model exhibits a quark deconfinement transition and chiral restoration which are suggested by QCD and give qualitatively correct numerics. The effective model is shown to be isomorphic to the Nambu-Jona-Lasinio model and exhibits the correct chirality provided that the chiral fields are identified with the 2-particle strings, which are natural in a QCD frameworkComment: 17 pages, 4 figures, 2 table

    Magic Numbers in Protein Structures

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    Spin polarization in high density quark matter under a strong external magnetic field

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    In high density quark matter under a strong external magnetic field, possible phases are investigated by using the two-flavor Nambu-Jona-Lasinio model with tensor-type four-point interaction between quarks, as well as the axial-vector-type four-point interaction. In the tensor-type interaction under the strong external magnetic field, it is shown that a quark spin polarized phase is realized in all regions of the quark chemical potential under consideration within the lowest Landau level approximation. In the axial-vector-type interaction, it is also shown that the quark spin polarized phase appears in the wide range of the quark chemical potential. In both the interactions, the quark mass in zero and small chemical potential regions increases which indicates that the chiral symmetry breaking is enhanced, namely the magnetic catalysis occurs.Comment: 17 pages, 5 figure

    Electronic Structures of LNA Phosphorothioate Oligonucleotides

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    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

    Quantum Mechanical Studies of DNA and LNA

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    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
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