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Ligand Dependent Regioselectivity in Palladium Mediated Allylic Alkylation
(2010-09-17)
In this thesis, different aspects on ligand dependent regioselectivity in palladium mediated allylic alkylation have been studied.
It is believed that the regioselectivity is a result of nucleophilic attack trans to ...
Isothiocynates as skin sensitizers. Bioactivation and distribution in skin and lymph nodes
(2010-11-05)
Development of contact dermatitis can be caused by electrophilic compounds (haptens) or prohaptens that come into contact with the skin. A prohapten is a compound seemingly harmless at first sight that can be transformed ...
Development and use of optical sensors in modern analytical chemistry
(2010-04-09)
A successful long-term high resolution imaging experiment in marine sediments was performed (17 days within the sample; Paper I). The time correlated calibration procedure was evolved to include parametric sigmoidal and ...
Samarium(II)-mediated reactions in organic synthesis - method development and mechanistic investigation
(2010-04-07)
This thesis describes the development of methods using divalent samarium reagents in organic synthesis. The main focus is placed on functional group reductions, but reductive formation of carbon-carbon bonds has also been ...
Absolute Asymmetric Synthesis
(2010-02-03)
Absolute asymmetric synthesis is the synthesis of optically active products from achiral or racemic precursors only. This has generally been regarded as impossible and is relevant in the discussion of the origins of ...
Electrochemical and Enzymatic In Vitro Studies on Reactive Drug Metabolites Synthesis, Characterization and Avoidance
(2010-05-03)
ABSTRACT
During development of pharmaceuticals, it is essential to as early as possible identify and
preferably avoid formation of reactive metabolites and ...
Structure, phase behavior, and dynamics of colloidal systems characterized by strong, short- and moderate-ranged attractions: a computational study
(2010-11-03)
Attractions between colloidal particles are often so strong that non-equilibrium behavior results. However, dissolved non-adsorbing polymer can be added
to give a weak attraction between particles so that equilibrium phase ...
Experimental and computational investigation of affinity and selectivity factors in CYP2D6 and CYP3A4 mediated metabolism
(2010-09-02)
The assessment of ADME properties and metabolic behavior of a drug is central in drug discovery and drug design. The main target for studies of metabolic properties is the Cytochrome P450 (CYP), which is responsible for ...
Improving Drug Discovery Decision Making using Machine Learning and Graph Theory in QSAR Modeling
(2010-02-12)
During the last decade non-linear machine-learning methods have gained popularity among QSAR
modelers. The machine-learning algorithms generate highly accurate models at a cost of increased model
complexity where simple ...