The Gibbs free energy is strongly related to the stability and catalytic function of an enzyme through the energetic changes that occur in the chemical reactions the enzyme catalyzes. In this in silico study, a pulsed...The Gibbs free energy is strongly related to the stability and catalytic function of an enzyme through the energetic changes that occur in the chemical reactions the enzyme catalyzes. In this in silico study, a pulsed electric field was applied to an azoreductase, and its effect on the Gibbs free energy of molecular docking with two dyes was measured. We propose that certain stimuli from a pulsed electric field favor the structural stability of the enzyme by promoting an arrangement in the active site, potentially leading to an enhancement of enzymatic activity overall.展开更多
Prion proteins are related to the development of incurable and invariably fatal neurodegenerative diseases in humans and animals. The pathogenicity involves the conversion of the host-encoded-alpha rich isoform of pri...Prion proteins are related to the development of incurable and invariably fatal neurodegenerative diseases in humans and animals. The pathogenicity involves the conversion of the host-encoded-alpha rich isoform of prion protein, PrPC, into a misfolded beta-strand rich conformer, PrPSc. Although it has already been described that many punctual mutations alter the stability of PrPC, making it more prone to adopt an abnormal misfolded structure, the majority of cases reported among general population are sporadic in wild-type organisms. Thus, in this work we studied the dynamics and stability profiles of wild-type human prion protein by Molecular Dynamics (MD) simulation at different solvent temperatures. This analysis brought out certain residues and segments of the prion protein as critical to conformational changes;these results are consistent with experimental reports showing that protein mutants in those positions are related to the development of disease.展开更多
Ar/N2/CH4 glow discharge at low-pressure are studied in a closed system. The plasma was produced in 79.6% N2-15.4% Ar- 5.0% CH4 ternary mixture at pressures between 0.5 and 10.0 Torr. The diagnostic has been made by o...Ar/N2/CH4 glow discharge at low-pressure are studied in a closed system. The plasma was produced in 79.6% N2-15.4% Ar- 5.0% CH4 ternary mixture at pressures between 0.5 and 10.0 Torr. The diagnostic has been made by optical emission spectroscopy （OES）. The principal species observed were： N2, N2＋, CH＋, CN, C2, C3, HI3, Ha, C＋ and At. It presents the behaviour of the bands and lines intensities as a function of the pressure. Also, it displays the ratios of intensities of N＋2 （391.44 nm）, CN （392.08 nm）, and H （486.13 nm） to that of the N2 （337.13 rim） as function of pressure. The ratios show a slow decreasing behavior as a function of the pressure. Being the CH/N2 ratio more highest and H/N2 ratio the lowest one. The variations of excited species at different pressures may change the subsequent chemical reactions in the gas phase significantly. The present results suggest that the ion-molecule and molecule-molecule reactions in the gas phase are likely to play a dominant role in the present pressures.展开更多
文摘The Gibbs free energy is strongly related to the stability and catalytic function of an enzyme through the energetic changes that occur in the chemical reactions the enzyme catalyzes. In this in silico study, a pulsed electric field was applied to an azoreductase, and its effect on the Gibbs free energy of molecular docking with two dyes was measured. We propose that certain stimuli from a pulsed electric field favor the structural stability of the enzyme by promoting an arrangement in the active site, potentially leading to an enhancement of enzymatic activity overall.
文摘Prion proteins are related to the development of incurable and invariably fatal neurodegenerative diseases in humans and animals. The pathogenicity involves the conversion of the host-encoded-alpha rich isoform of prion protein, PrPC, into a misfolded beta-strand rich conformer, PrPSc. Although it has already been described that many punctual mutations alter the stability of PrPC, making it more prone to adopt an abnormal misfolded structure, the majority of cases reported among general population are sporadic in wild-type organisms. Thus, in this work we studied the dynamics and stability profiles of wild-type human prion protein by Molecular Dynamics (MD) simulation at different solvent temperatures. This analysis brought out certain residues and segments of the prion protein as critical to conformational changes;these results are consistent with experimental reports showing that protein mutants in those positions are related to the development of disease.
文摘Ar/N2/CH4 glow discharge at low-pressure are studied in a closed system. The plasma was produced in 79.6% N2-15.4% Ar- 5.0% CH4 ternary mixture at pressures between 0.5 and 10.0 Torr. The diagnostic has been made by optical emission spectroscopy （OES）. The principal species observed were： N2, N2＋, CH＋, CN, C2, C3, HI3, Ha, C＋ and At. It presents the behaviour of the bands and lines intensities as a function of the pressure. Also, it displays the ratios of intensities of N＋2 （391.44 nm）, CN （392.08 nm）, and H （486.13 nm） to that of the N2 （337.13 rim） as function of pressure. The ratios show a slow decreasing behavior as a function of the pressure. Being the CH/N2 ratio more highest and H/N2 ratio the lowest one. The variations of excited species at different pressures may change the subsequent chemical reactions in the gas phase significantly. The present results suggest that the ion-molecule and molecule-molecule reactions in the gas phase are likely to play a dominant role in the present pressures.
