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Bi- to tetravalent glycoclusters presenting GlcNAc/GalNAc as inhibitors: from plant agglutinins to human macrophage galactose-type lectin (CD301) and galectins
(Royal Society of Chemistry, 2015-02-17)
Emerging insights into the functional spectrum of tissue lectins leads to identification of new targets for the custom-made design of potent inhibitors, providing a challenge for synthetic chemistry. The affinity and ...
One-pot hydrogen peroxide and hydrohalic acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles
(American Chemical Society, 2015-05-19)
A new series of selectively dichlorinated and dibrominated five- to eight-membered-ring [1,2-a]-fused benzimidazoles and [1,4]oxazino[4,3-a]benzimidazoles are synthesized in mostly high yields of >80% using the reaction ...
Experimental and kinetic modeling study of the shock tube ignition of a large oxygenated fuel: tri-propylene glycol mono-methyl ether
(Elsevier, 2015-05-13)
Tri-propylene glycol monomethyl ether (TPGME) is an important oxygenated fuel additive that can be used to reduce soot in diesel engines. However, a validated chemical kinetic model that incorporates the low- to high-temperature ...
An ignition delay time and chemical kinetic modeling study of the pentane isomers
(Elsevier, 2016-10-26)
Ignition delay times of n-pentane, iso-pentane, and neo-pentane mixtures were measured in two shock tubes and in a rapid compression machine. The experimental data were used as validation targets for the model described ...
An experimental and kinetic modeling study of n-hexane oxidation
(Elsevier, 2015-09-11)
Ignition delay times for n-hexane oxidation have been measured in a rapid compression machine (RCM) at stoichiometric conditions and at 15 bar. Due to the high reactivity of n-hexane and non-ideal experimental effects ...
Revisiting the kinetics and thermodynamics of the low-temperature oxidation pathways of alkanes: a case study of the three pentane isomers
(American Chemical Society, 2015-03-23)
This paper describes our developing understanding of low-temperature oxidation kinetics. We have investigated the ignition of the three pentane isomers in a rapid compression machine over a wide range of temperatures and ...
A detailed chemical kinetic modeling, ignition delay time and jet-stirred reactor study of methanol oxidation
(Elsevier, 2016-01-29)
A shock tube (ST) and a rapid compression machine (RCM) have been used to measure new ignition delay times for methanol oxidation over a wide range of pressures (2-50 atm) and equivalence ratios (0.5, 1.0, and 2.0). These ...
Structure of molecular liquids: cavity and bridge functions of the hard spheroid fluid
(American Physical Society, 2006-06-28)
We present methodologies for calculating the direct correlation function c(1,2), the cavity function y(1,2), and the bridge function b(1,2), for molecular liquids, from Monte Carlo simulations. As an example we present ...
Phase behaviour of self-assembled monolayers controlled by tuning physisorbed and chemisorbed states: A lattice-model view
(American Institute of Physics, 2016-04-07)
The self-assembly of molecules on surfaces into 2D structures is important for the bottom-up fabrication of functional nanomaterials, and the self-assembledstructure depends on the interplay between molecule-molecule ...
Tandem reactions via Barton Esters with intermolecular addition and vinyl radical substitution onto indole
(American Chemical Society, 2014-05-16)
A one-pot initiator-free Barton ester decomposition with tandem radical addition onto alkyl propiolates or phenylacetylene with aromatic substitution of the resultant vinyl radical allows convenient access to new 9-substituted ...