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1.
Chris H. Hill Agnete H. Viuff Samantha J. Spratley Stéphane Salamone Stig H. Christensen Randy J. Read Nigel W. Moriarty Henrik H. Jensen Janet E. Deane 《Chemical science》2015,6(5):3075-3086
Krabbe disease is a devastating neurodegenerative disorder characterized by rapid demyelination of nerve fibers. This disease is caused by defects in the lysosomal enzyme β-galactocerebrosidase (GALC), which hydrolyzes the terminal galactose from glycosphingolipids. These lipids are essential components of eukaryotic cell membranes: substrates of GALC include galactocerebroside, the primary lipid component of myelin, and psychosine, a cytotoxic metabolite. Mutations of GALC that cause misfolding of the protein may be responsive to pharmacological chaperone therapy (PCT), whereby small molecules are used to stabilize these mutant proteins, thus correcting trafficking defects and increasing residual catabolic activity in cells. Here we describe a new approach for the synthesis of galacto-configured azasugars and the characterization of their interaction with GALC using biophysical, biochemical and crystallographic methods. We identify that the global stabilization of GALC conferred by azasugar derivatives, measured by fluorescence-based thermal shift assays, is directly related to their binding affinity, measured by enzyme inhibition. X-ray crystal structures of these molecules bound in the GALC active site reveal which residues participate in stabilizing interactions, show how potency is achieved and illustrate the penalties of aza/iminosugar ring distortion. The structure–activity relationships described here identify the key physical properties required of pharmacological chaperones for Krabbe disease and highlight the potential of azasugars as stabilizing agents for future enzyme replacement therapies. This work lays the foundation for new drug-based treatments of Krabbe disease. 相似文献
2.
Hugh Thomas 《Order》2006,23(2-3):249-269
In this paper, we study lattices that posess both the properties of being extremal (in the sense of Markowsky) and of being left modular (in the sense of Blass and Sagan). We call such lattices trim and show that they posess some additional appealing properties, analogous to those of a distributive lattice. For example, trimness is preserved under taking intervals and suitable sublattices. Trim lattices satisfy a weakened form of modularity. The order complex of a trim lattice is contractible or homotopic to a sphere; the latter holds exactly if the maximum element of the lattice is a join of atoms. Any distributive lattice is trim, but trim lattices need not be graded. The main example of ungraded trim lattices are the Tamari lattices and generalizations of them. We show that the Cambrian lattices in types A and B defined by Reading are trim; we conjecture that all Cambrian lattices are trim. 相似文献
3.
The synthesis of rigid spirocyclic bislactams derived from pyroglutamic acid has been established. 相似文献
4.
An Application of Branch and Cut to Open Pit Mine Scheduling 总被引:5,自引:0,他引:5
The economic viability of the modern day mine is highly dependent upon careful planning and management. Declining trends in average ore grades, increasing mining costs and environmental considerations will ensure that this situation will remain in the foreseeable future. The operation and management of a large open pit mine having a life of several years is an enormous and complex task. Though a number of optimization techniques have been successfully applied to resolve some important problems, the problem of determining an optimal production schedule over the life of the deposit is still very much unresolved. In this paper we will critically examine the techniques that are being used in the mining industry for production scheduling indicating their limitations. In addition, we present a mixed integer linear programming model for the scheduling problems along with a Branch and Cut solution strategy. Computational results for practical sized problems are discussed. 相似文献
5.
6.
Roger M. Hill 《The Journal of the Operational Research Society》1989,40(11):983-992
The context is that of a retail chain where stock is purchased into a central warehouse from which branch stocks are replenished. This paper considers possible methods of allocating limited warehouse stock to branches, and uses simulation to quantify the resulting benefits. 相似文献
7.
Marco Dall'Aglio Theodore P. Hill 《Journal of Mathematical Analysis and Applications》2003,281(1):346-361
For fair-division or cake-cutting problems with value functions which are normalized positive measures (i.e., the values are probability measures) maximin-share and minimax-envy inequalities are derived for both continuous and discrete measures. The tools used include classical and recent basic convexity results, as well as ad hoc constructions. Examples are given to show that the envy-minimizing criterion is not Pareto optimal, even if the values are mutually absolutely continuous. In the discrete measure case, sufficient conditions are obtained to guarantee the existence of envy-free partitions. 相似文献
8.
9.
D. Hugh Powell Andr E. Merbach Gabriel Gonzlez Ern Brücher Kroly Micskei M. Francesca Ottaviani Klaus Khler Alex Von Zelewsky Oleg Ya. Grinberg Yakob S. Lebedev 《Helvetica chimica acta》1993,76(5):2129-2146
EPR Spectra have been measured for aqueous solutions of a series of Gd3+ complexes at variable temperature and a range of magnetic fields; S-band (0.14 T), X-band (0.34 T), Q-band (1.2 T), and 2-mm-band (5.0 T). The major contribution to the observed line widths is magnetic-field-dependent and is interpreted as being due to the modulation of the zero-field splitting produced by distortion of the complexes from perfect symmetry. The transverse and longitudinal relaxation matrices for an 8S ion with such an interaction have been calculated using Redfield theory with vector-coupling methods, and diagonalised numerically to obtain relaxation rates and intensities for the degenerate transitions which contribute to the multiplet. The observed line width, which is inversely proportional to the magnetic field at low temperatures, is best described by the intensity-weighted mean transverse relaxation time for the four transitions with non-zero intensity. A least-squares fit of the data yields the square of the zero-field splitting tensor, Δ2, and a correlation time, τv, with activation energy, Ev. The physical significance of these parameters and the extent of validity of the theoretical approach are considered. The parameters are used to predict the magnetic-field dependence of the longitudinal and transverse electronic relaxation times, which are discussed in the context of their relevance to 1H-NMR relaxivity. 相似文献
10.
Christian Hill 《Journal of Molecular Spectroscopy》2007,241(1):15-17
Recently-formulated centrifugal distortion corrections to the spin-spin Hamiltonian have been used to analyse the first excited triplet state (ã3A2) of deuterated selenoformaldehyde. By including six spin-spin centrifugal distortion parameters, it is possible to account for the energy levels of this state using a single set of three rotational constants, A, B, and C, where previously nine spin-dependent parameters were required. 相似文献