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Effective interstitial transport of particles is necessary for injected drug/diagnostic agents to reach the intended target; however, quantitative methods to estimate such transport parameters are lacking. In this study we develop an in vivo model for eval ...
The double-arom. character of selected monocyclic carbon, boron, and borocarbon rings is demonstrated by refined nucleus-independent chem. shift (NICS) analyses involving the contributions of individual canonical MOs and their out-of-plane NICS tensor comp ...
A combined variable-temp. and multiple field 17O NMR, EPR and NMRD study was performed for the 1st time on Gd(III) complexes of cryptand ligands, L1 and L2, where L1 contains three 2,2'-bipyridine units ([bpy.bpy.bpy]) and L2 is the disubstituted Me ester ...
We present a hybrid time-dependent d. functional/mol. mechanics (TDDFT/MM) simulation study on the optical properties of aminocoumarins in gas phase and soln. As solvation is described through a mol. approach, the effects due to the inhomogeneities of the ...
The labile cobalt (II) complex [Co(TUF)2(Pic)2] with 4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione (TUF) bidentate and 4-methylpyridine (Pic) monodentate ligands was studied by variable temp. (VT) 19F NMR from 184 to 312 K. In contrast to the solid state, ...
As the need for lower mol. wt. acrylates for specialty and molding applications increases, industry is looking for substitute prodn. processes. An alternative to the increasing of initiator and chain transfer agent concn. is working at higher temps. Howeve ...
Conversion of unactivated olefins to azides was achieved with high Markovnikov selectivity for a broad range of alkenes by using 6 mol % Co(BF4).6H2O and ligand I, with 3 equiv of tosyl azide as the nitrogen source and simple silanes (e.g., PhSiH3, tetrame ...
The title compd. was obtained by reaction of (tert-BuO)3SiSH with metallic Li. Crystals are monoclinic, space group P21/n, with a 13.088(3), b 27.188(5), c 17.525(4) .ANG., b 102.25(3) Deg; Z = 2, dc = 1.083; R = 0.036, Rw(F2) = 0.105 for 11,732 reflection ...
Using the highly localized current of electrons tunneling through a double barrier scanning tunneling microscope junction, we excite luminescence from a selected C60 mol. in the surface layer of fullerene nanocrystals grown on an ultrathin NaCl film on Au( ...
In analogy to the authors' successful PX2+ insertion reactions, an AsX2+ insertion route was explored to obtain new arsenic halogen cations. Two new salts were prepd.: AsBr4+[Al(OR)4]-, starting from AsBr3, Br2 and Ag[Al(OR)4], and I2As-PI3+[Al(OR)]4 from ...
