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Full-Text Articles in Physical Sciences and Mathematics
Multi-Scale Computational Enzymology: Enhancing Our Understanding Of Enzymatic Catalysis, Rami Gherib, Hisham Mohammed Mohammed Dokainish, James Gauld
Multi-Scale Computational Enzymology: Enhancing Our Understanding Of Enzymatic Catalysis, Rami Gherib, Hisham Mohammed Mohammed Dokainish, James Gauld
Chemistry and Biochemistry Publications
Elucidating the origin of enzymatic catalysis stands as one the great challenges of contemporary biochemistry and biophysics. The recent emergence of computational enzymology has enhanced our atomistic-level description of biocatalysis as well the kinetic and thermodynamic properties of their mechanisms. There exists a diversity of computational methods allowing the investigation of specific enzymatic properties. Small or large density functional theory models allow the comparison of a plethora of mechanistic reactive species and divergent catalytic pathways. Molecular docking can model different substrate conformations embedded within enzyme active sites and determine those with optimal binding affinities. Molecular dynamics simulations provide insights into …
Nicholas Reactions In The Synthesis Of Dicobalt Dibenzocyclooctyne Complexes, Sinisa Djurdjevic, James R. Green
Nicholas Reactions In The Synthesis Of Dicobalt Dibenzocyclooctyne Complexes, Sinisa Djurdjevic, James R. Green
Chemistry and Biochemistry Publications
Hexacarbonyldicobalt complexes of biaryl-substituted 4-methoxybutynones and 4-methoxy-2-butynes undergo intramolecular Nicholas reactions to form dibenzocyclooctyne–Co2(CO)6 complexes in good yields. Reductive decomplexation of the cyclization products is possible, and the method has been applied to a formal synthesis of isoschizandrin.
The Observation Of Highly Ordered Domains In Membranes With Cholesterol, Clare L. Armstrong, Drew Marquardt, Hannah Dies, Norbert Kučerka, Zahra Yamani, Thad A. Harroun, John Katsaras, An Chang Shi, Maikel C. Rheinstädter
The Observation Of Highly Ordered Domains In Membranes With Cholesterol, Clare L. Armstrong, Drew Marquardt, Hannah Dies, Norbert Kučerka, Zahra Yamani, Thad A. Harroun, John Katsaras, An Chang Shi, Maikel C. Rheinstädter
Chemistry and Biochemistry Publications
Rafts, or functional domains, are transient nano- or mesoscopic structures in the exoplasmic leaflet of the plasma membrane, and are thought to be essential for many cellular processes. Using neutron diffraction and computer modelling, we present evidence for the existence of highly ordered lipid domains in the cholesterol-rich (32.5 mol%) liquid-ordered (l0) phase of dipalmitoylphosphatidylcholine membranes. The liquid ordered phase in one-component lipid membranes has previously been thought to be a homogeneous phase. The presence of highly ordered lipid domains embedded in a disordered lipid matrix implies non-uniform distribution of cholesterol between the two phases. The experimental results are in …
Sperm Quality Of Hatchery-Reared Lake Trout Throughout The Spawning Season, Katelynn Johnson, Ian A.E. Butts, Chris C. Wilson, Trevor E. Pitcher
Sperm Quality Of Hatchery-Reared Lake Trout Throughout The Spawning Season, Katelynn Johnson, Ian A.E. Butts, Chris C. Wilson, Trevor E. Pitcher
Great Lakes Institute for Environmental Research Publications
The objective of this study was to investigate variation in sperm quality metrics (motility, velocity, linearity, longevity, and density) of hatchery-reared Lake Trout Salvelinus namaycush throughout the spawning season. Seasonal variation in sperm quality was investigated using both a regression and repeated-measures approach. Sperm was collected from the same 16 individuals over four sampling periods, separated by 3-week intervals. Regression analyses showed that 727% of the variation in sperm traits could be explained by seasonal variation, indicating that seasonality can have a significant impact on the quality of sperm. Significant positive linear relationships were found for percent motility and linearity …