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Synthesis of iminosugar derivatives presenting naphthyl and alkyl amine interacting groups and binding to somatostatin receptors
(Royal Society of Chemistry, 2014-03-20)
The synthesis of 1-deoxynojirimycin (DNJ) derivatives presenting a 2-naphthylmethyl and an alkyl amino side chain from L-sorbose is described. The synthetic derivatives were tested for their ability to inhibit the binding ...
Synthesis of migrastatin and its macroketone analogue and in vivo FRAP analysis of the macroketone on E-Cadherin dynamics
(Wiley-VCH Verlag, 2014-06-11)
An efficient and scalable synthesis of a key acyclic intermediate used for the preparation of migrastatin and its macroketone analogue is described; Brown alkoxyallylation is the key step for this synthesis. The macroketone ...
Synthesis of α-galactosyl ceramide analogues with an α-triazole at the anomeric carbon
(Elsevier, 2014-03-16)
The synthesis of 1,2,3-triazole containing analogues of a-GalCer and galacturonic acid containing Sphingomonous cell wall antigens is described. Anomerisation was used to provide the required cc-glycosyl azide precursor. ...
Molecular structure and phase behaviour of hairy-rod polymers
(Royal Society of Chemistry, 2009)
Using dissipative particle dynamics simulations the relationship between molecular architecture and phase behaviour in model hairy-rod polymers is studied. In agreement with experimental and theoretical studies the phase ...
Chemometric approaches to low-content quantification (LCQ) in solid-state mixtures using Raman mapping spectroscopy.
(Royal Society of Chemistry, 2017-10-30)
The low-content quantification (LCQ) of active pharmaceutical ingredients or impurities in solid mixtures is important in pharmaceutical manufacturing and analysis. We previously demonstrated the feasibility of using Raman ...
Decorated macrocycles via ring-closing double-reductive amination. Identification of an apoptosis inducer of leukemic cells that at least partially antagonizes a 5-HT2 receptor
(American Chemical Society, 2015-03-16)
A build-couple-pair strategy, including double-reductive amination macrocyclization, has been used to generate decorated macrocycles (eannaphanes) with an embedded triazole and monosaccharide. Biological screening led to ...
How stable are amphiphilic dendrimers at the liquid liquid interface?
(Royal Society of Chemistry, 2013)
By means of molecular dynamics simulations the free energy of adsorption of model dendrimer characterized by monomers of different chemical affinity is predicted as a function of the number and position of the monomers. ...
Stability of Janus nanoparticles at fluid interface
(Royal Society of Chemistry, 2009)
Using Monte Carlo simulations the interaction of a nanometre-sized, spherical Janus particle (a particle with two distinct surface regions of different functionality, in this case showing amphiphilic behaviour) with an ...
Simplified approach to the prediction and analysis of temperature inhomogeneity in rapid compression machines
(American Chemical Society, 2015-11-03)
Substantial progress has been made in understanding and reducing temperature inhomogeneity in rapid compression machines (RCMs) with the help of computational modeling. To date, however, it has not been possible to investigate ...
Chemical kinetics of hydrogen atom abstraction from allylic sites by 3O2; Implications for combustion modelling and simulation
(American Chemical Society, 2017-02-14)
ABSTRACT: Hydrogen atom abstraction from allylic C−H bonds by molecular
oxygen plays a very important role in determining the reactivity of fuel molecules
having allylic hydrogen atoms. Rate constants for hydrogen atom ...