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Second Generation Steroidal 4-Aminoquinolines Are Potent, Dual-Target Inhibitors of the Botulinum Neurotoxin Serotype A Metalloprotease and P. falciparum Malaria
(American Chemical Society (ACS), 2014)
Significantly more potent second generation 4-amino-7-chloroquinoline (4,7-ACQ) based inhibitors of the botulinum neurotoxin serotype A (BoNT/A) light chain were synthesized. Introducing an amino group at the C(3) position ...
Fluctuations in transient response of adsorption-based plasmonic sensors
(Elsevier, 2014)
The basic parameters of a sensor element defining its ultimate performance are sensitivity and intrinsic noise. In plasmonic gas sensors both are determined by refractive index changes due to adsorption and desorption (a-d) ...
Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(II) complexes with potential molecular magnet behavior
(Royal Soc Chemistry, Cambridge, 2014)
Magnetic molecules that present a slow decay of their magnetization (molecular magnets) are very interesting both from a fundamental and applied points of view. While many approaches focus strongly on finding systems with ...
Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(II) complexes with potential molecular magnet behavior
(Royal Soc Chemistry, Cambridge, 2014)
Magnetic molecules that present a slow decay of their magnetization (molecular magnets) are very interesting both from a fundamental and applied points of view. While many approaches focus strongly on finding systems with ...
Substrate Stereocontrol in the Intramolecular Organocatalyzed Tsuji-Trost Reaction: Enantioselective Synthesis of Allokainates
(American Chemical Society (ACS), 2014)
Organocatalyzed Tsuji-Trost cyclization of 3b proceeds with asymmetric induction and allows for stereoselective synthesis of (+)-allokainic acid. The stereochemical outcome of the cyclization was predicted by calculations.
A Practical Computational Approach to Study Molecular Instability Using the Pseudo-Jahn-Teller Effect
(American Chemical Society (ACS), 2014)
Vibronic coupling theory shows that the cause for spontaneous instability in systems presenting a nondegenerate ground state is the so-called pseudo-Jahn-Teller effect, and thus its study can be extremely helpful to ...