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301.
S. V. Lushchekina V. S. Polomskikh S. D. Varfolomeev P. Masson 《Russian Chemical Bulletin》2013,62(11):2527-2537
Presumably, aerotoxic syndrome is caused by the impact of tricresyl phosphate (TCP), a lubricating oil additive for aircraft engines, on the human body. The most toxic tri-ortho-isomer of this compound is metabolized in the body to give cresyl saligenin phosphate (CSP), which inhibits butyrylcholinesterase (BChE) giving phosphoserine. In this case, BChE acts as a stoichiometric bioscavenger irreversibly binding CSP and as a biomarker of exposure to low doses of TCP. The mechanism of CSP interaction with BChE at the initial stage of formation of the enzyme—inhibitor complex was studied by molecular modeling techniques. The results indicate that BChE interaction with the (R)-enantiomer of CSP in the most stable envelope conformation of the saligenin ring is most preferable. Comparison of the results obtained using different computation methods demonstrated that the best agreement with experimental data can be achieved by combining standard molecular docking methods with quantum mechanics methods for more accurate structure preparation. 相似文献
302.
Bolduc OR Lambert-Lanteigne P Colin DY Zhao SS Proulx C Boeglin D Lubell WD Pelletier JN Féthière J Ong H Masson JF 《The Analyst》2011,136(15):3142-3148
A peptide self-assembled monolayer (SAM) was designed to bind His-tagged biomolecules for surface plasmon resonance (SPR) bioanalysis, which was applied for the determination of K(d) for small ligand screening against CD36. Nonspecific adsorption could be minimized using penta- and hexa-peptide monolayers. In particular, monolayers consisting of 3-mercaptopropionyl-leucinyl-histidinyl-aspartyl-leucinyl-histidinyl-aspartic acid (3-Mpa-LHDLHD) exhibited little (12 ng cm(-2)) nonspecific adsorption in crude serum. Modification of this peptide monolayer with Nα,Nα-bis(carboxymethyl)-L-lysine gave a surface competent for binding His-tagged proteins, as demonstrated using enzyme (human dihydrofolate reductase), protein/antibody and receptor (CD36) examples. Immobilization featured chelation of copper and the His-tagged protein by the peptide monolayer, which could be recycled by removing the copper using imidazole washes prior to reuse. 相似文献
303.
Charles W. Blackledge Thibault Tabarin Emilie Masson Robert J. Forster Tia E. Keyes 《Journal of nanoparticle research》2011,13(10):4659-4672
Silica shells are grown around colloidally synthesized gold nanorods (AuNRs) to form core–shell particles (AuNR@SiO2) of variable occupancy, defined as the number of AuNRs per silica particle. Multiple AuNR occupancy within the silica shell,
confirmed with high-resolution electron microscopy, is reflected in a redshift of the longitudinal plasmon mode of the nanorods
due to multipolar coupling between AuNRs of a favored end–end orientation. In addition to the plasmon resonance that dominates
their absorbance spectra, FL-AuNR@SiO2, core–shell particles incorporating a lipid probe (rhodamine-DOPE), can be monitored by their fluorescence and Raman signals.
Optical and scanning electron microscopy (SEM) images are compared directly, enabling the correlation of spectroscopic characteristics
with particle morphology. Raman and SEM images show that the most intense Raman signals come from aggregates of AuNRs trapped
within the silica matrix. Biexponential fits to fluorescence decays indicate that competing mechanisms of quenching and fluorescence
enhancement contribute to a reduced fluorescence lifetime of rhodamine-DOPE located near the AuNRs. 相似文献
304.
The rates of cycloalkyl phenyl sulfide formation of a series of homologous bromocycloalkanes upon treatment with sodium benzenethiolate have been determined to ascertain the effect of ring size on reactivity. The ‘rate profile’, i.e., reaction rate vs. ring size, for these nucleophilic substitutions (SN2) was determined. A linear free‐energy relationship could be derived from computed hydride affinities of cycloalkanes and rates of typical SN1 reactions, whereas rates of SN2 reactions exhibited a strong discrepancy from the seven‐ up to the twelve‐membered rings. This discrepancy was rationalized by a careful examination of the geometry of the intermediates and transition states involved in these reactions. 相似文献
305.
Yasser Bakri Magali Masson Philippe Thonart 《Applied biochemistry and biotechnology》2010,162(6):1626-1634
Fungi are well known for their ability to excrete enzymes into the environment. The aim of this work was to evaluate xylanase production by fungi isolated from soil. One hundred and thirty-six fungal isolates were screened for xylanase production. Two xylanase producing isolates, FSS117 and FSS129, were identified on the basis of analyses of 5,8S gene sequencing. The closest phylogenetic neighbors according to 5,8S gene sequence data for the two isolates were Aspergillus tubingensis and Aspergillus terreus, respectively. When birchwood xylan or corn cob hulls was used as a substrate for 5 days under submerged culture cultivation, xylanase production from A. terreus FSS129 was 113 and 174 IU ml?1, respectively. The pH and temperature for optimum xylanase activity were 8 and 65?ºC. 相似文献
306.
Renaud Masson Stefan Ropke Fabien Lehuédé Olivier Péton 《European Journal of Operational Research》2014
The Pickup and Delivery Problem with Shuttle routes (PDPS) is a special case of the Pickup and Delivery Problem with Time Windows (PDPTW) where the trips between the pickup points and the delivery points can be decomposed into two legs. The first leg visits only pickup points and ends at some delivery point. The second leg is a direct trip – called a shuttle – between two delivery points. This optimization problem has practical applications in the transportation of people between a large set of pickup points and a restricted set of delivery points. 相似文献
307.
Summary We introduce in this article a new domain decomposition algorithm for parabolic problems that combines Mortar Mixed Finite
Element methods for the space discretization with operator splitting schemes for the time discretization. The main advantage
of this method is to be fully parallel. The algorithm is proven to be unconditionally stable and a convergence result in
(Δt/h
1/2) is presented. 相似文献
308.
In this paper, we revisit some quantum mechanical aspects related to the quantum Hall effect. We consider a Landau type model, paying a special attention to the experimental and geometrical features of quantum Hall experiments. The resulting formalism is then used to compute explicitely the Hall conductivity from a Kubo formula. 相似文献
309.
310.