Sabine Foro

Bio: Sabine Foro is an academic researcher from Technische Universität Darmstadt. The author has contributed to research in topics: Hydrogen bond & Dihedral angle. The author has an hindex of 17, co-authored 477 publications receiving 1596 citations.

A mononuclear diketone-based oxido-vanadium(IV) complex: structure, DNA and BSA binding, molecular docking and anticancer activities against MCF-7, HPG-2, and HT-29 cell lines

Abstract: A mononuclear oxido-vanadium(IV) complex, [VO(L)2], has been prepared from the reaction of dibenzoylmethane (HL) and VO(acac)2 in a 2 : 1 molar ratio, and fully characterized using elemental analyses, molar conductivity, FT-IR, and electronic spectroscopy. The structure of this compound was also confirmed by single crystal X-ray diffraction. It was found that in the title complex, the metal coordination geometry is described as a distorted square pyramid. DNA binding activities of this complex were investigated using electronic absorption titration, competitive fluorescence titration and cyclic voltammetry studies. The obtained results showed groove binding of the complex to salmon sperm DNA accompanied with a partial insertion of the ligand between the base stacks of the DNA with a binding constant of 2.3 × 103 M−1. In addition, the interaction of the complex with bovine serum albumin (BSA) was studied using electronic absorption and fluorescence spectroscopies at different temperatures indicating a good affinity of the complex for BSA. These experimental results were confirmed by the results of molecular docking. Finally, the in vitro cytotoxicity properties of the synthesized complex against MCF-7, HPG-2 and HT-29 cell lines were evaluated and compared with those of the ligand (HL). It was found that complexation improved the anticancer activity significantly. IC50 values for the V(IV) complex against MCF-7, HPG-2 and HT-29 cell lines were obtained as 7.8, 13.5 and 16.1 μM, respectively.

Oxidation-Triggered Ring-Opening Metathesis Polymerization

Abstract: Eight new N-Hoveyda-type complexes were synthesized in yields of 67–92 % through reaction of [RuCl2(NHC)(Ind)(py)] (NHC=1,3-bis(2,4,6-trimethylphenylimidazolin)-2-ylidene (SIMes) or 1,3-bis(2,6-diisopropylphenylimidazolin)-2-ylidene (SIPr), Ind=3-phenylindenylid-1-ene, py=pyridine) with various 1- or 1,2-substituted ferrocene compounds with vinyl and amine or imine substituents. The redox potentials of the respective complexes were determined; in all complexes an iron-centered oxidation reaction occurs at potentials close to E=+0.5 V. The crystal structures of the reduced and of the respective oxidized Hoveyda-type complexes were determined and show that the oxidation of the ferrocene unit has little effect on the ruthenium environment. Two of the eight new complexes were found to be switchable catalysts, in that the reduced form is inactive in the ring-opening metathesis polymerization of cis-cyclooctene (COE), whereas the oxidized complexes produce polyCOE. The other complexes are not switchable catalysts and are either inactive or active in both reduced and oxidized states.

Dialkylbiaryl phosphines in Pd-catalyzed amination: a user's guide

Abstract: Dialkylbiaryl phosphines are a valuable class of ligand for Pd-catalyzed amination reactions and have been applied in a range of contexts. This perspective attempts to aid the reader in the selection of the best choice of reaction conditions and ligand of this class for the most commonly encountered and practically important substrate combinations.

A Survey of the Role of Noncovalent Sulfur Interactions in Drug Design

Abstract: Electron deficient, bivalent sulfur atoms have two areas of positive electrostatic potential, a consequence of the low-lying σ* orbitals of the C–S bond that are available for interaction with electron donors including oxygen and nitrogen atoms and, possibly, π-systems. Intramolecular interactions are by far the most common manifestation of this effect, which offers a means of modulating the conformational preferences of a molecule. Although a well-documented phenomenon, a priori applications in drug design are relatively sparse and this interaction, which is often isosteric with an intramolecular hydrogen-bonding interaction, appears to be underappreciated by the medicinal chemistry community. In this Perspective, we discuss the theoretical basis for sulfur σ* orbital interactions and illustrate their importance in the context of drug design and organic synthesis. The role of sulfur interactions in protein structure and function is discussed and although relatively rare, intermolecular interactions betwe...

Electronic Properties of N-Heterocyclic Carbenes and Their Experimental Determination

Abstract: N-Heterocyclic carbenes (NHCs) have become without doubt one of the most exciting and popular species in chemical science due to the ease of their preparation and modularity in stereoelectronic properties. Numerous types of NHCs have been prepared, and various experimental methodologies have been proposed for the study of their electronic properties in order to rationalize reactivities observed. The objective of this article is to provide a comprehensive overview of the most common and popular ones among them. In particular, these include the nickel(0)-based TEP, its rhodium(I) and iridium(I) variants, LEP and related electrochemical methods, the palladium(II)-based HEP, phosphinidene- and selenourea-based methods, as well as the use of direct 1J(C–H) coupling constants of the precarbene carbon in azolium salts. Each individual method and the underlying principle of detection it utilizes will be critically discussed in terms of strength and weakness. In addition, comprehensive amounts of data from various...