Abstract A novel artificial nucleobase, 1‐(3‐(hydroxymethyl)phenyl)‐3‐phenylpropane‐1,3‐dione (Hdbm OR ), containing a β ‐diketone designed to form inter‐strand complexes that resemble metal‐mediated base pairs, was synthesized and characterized towards its lanthanoid ion binding properties. Based on UV/vis spectra, (labile) coordination of Eu III Sm by the benzyl‐functionalized model ligand is proposed, allowing detection distinct luminescence patterns upon under alkaline conditions. The...

The present study reports on the molecular structures and syntheses of 1,1′,1′′-[(2-bromoethoxy)methanetriyl]tribenzene, C 21 H 19 BrO, 1,1′,1′′-[(2-iodoethoxy)methanetriyl]tribenzene, IO. Both compounds crystallized from a saturated solution in THF by slow vapour diffusion n -hexane monoclinic space group P 2 1 / c . While two independent molecules asymmetric unit 1,1′,1′′-[(2-iodoethoxy)methanetriyl]tribenzene show no close contacts to other molecules, structure...

Abstract Trityl-protected triethanolamines were synthesized and their structures evaluated with regard to the planarization of central nitrogen atom. Although steric influence side groups was found affect geometry around atom, this only minor. In addition intramolecular interactions, intermolecular interactions in these crystals identified on basis solid state structures. These are dominated by short H⋯H contacts C–H···π interactions. Overall, study demonstrates individual distant sterically...

A family of 16 platinum(II) complexes was synthesized with the aim obtaining water-soluble luminescent coordination compounds for guanine quadruplex (G4) binding. The share a common tridentate N^N^C-donor ligand (based on 2-phenyl-6-(1H-1,2,3-triazol-4-yl)pyridine) bearing different substituents solubilization, and an additional monodentate ancillary (either phenylacetylide or 3-(trimethylammonium)prop-1-yne-1-ide). Single-crystal X-ray diffraction analyses confirm that do not interfere...

Abstract The first dinuclear metal‐mediated base pair containing divalent metal ions has been prepared. A combination of the neutral bis(monodentate) purine derivative 1,N 6 ‐ethenoadenine ( ϵ A), which preferentially binds two with a parallel alignment N−M bonds, and canonical nucleobase thymine (T), readily deprotonates in presence Hg II thereby partially compensates charge accumulation due to closely spaced ions, yields T‐Hg 2 ‐ pair. This stabilizes DNA oligonucleotide duplex as shown by...

A versatile design strategy is presented towards new monoanionic pincer luminophores, showing that cyclometallating C^N^N ligands can yield phosphorescent Pt(ii) complexes even if a neutral 1,2,3-triazole ring inserted by click chemistry. The overall charge, intermolecular interactions and excited state properties be manipulated controlled varying the nature of ancillary ligand, its effect on structural triplet characteristics thoroughly investigated correlated means theory spectroscopy.

Abstract 1, N 6 ‐Ethenoadenine ( ϵ A) and cytosine (C) are able to form two different metal‐mediated base pairs. When the glycosidic bonds arranged in a cisoid manner (i.e., antiparallel‐stranded DNA), A:C mispair binds one Ag I ion, leading mononuclear A‐Ag ‐C pair that contains synergistic hydrogen bond. In contrast, transoid orientation of (as found parallel‐stranded DNA) results formation dinuclear 2 ‐C.

Oxidative damage in DNA is one of the primary sources mutations cell. The activities repair enzymes 8-oxoguanine glycosylase (OGG1) and human MutT Homologue 1 (NUDT1 or MTH1), which work together to ameliorate this damage, are closely linked mutagenesis, genotoxicity, cancer, inflammation. Here we have undertaken development small-molecule dual inhibitors two as tools test relationships between these pathways disease. compounds preserve key structural elements known enzymes, they were...

A family of Pt(II) complexes bearing monoanionic C^N^N ligands as luminophoric units well a set monodentate derived from allenylidene and carbene species were synthesized characterized in terms structure photophysical properties. In addition, we present the extraordinary molecular phosphorescent complex carrying an ligand. Depending on co-ligand, effect can be observed photoluminescence lifetimes quantum yields radiative radiation less deactivation rate constants. Their correlation with...

Impaired DNA repair activity has been shown to greatly increase rates of cancer clinically. It hypothesized that upregulating in susceptible individuals may be a useful strategy for inhibiting tumorigenesis. Here, we report selected tyrosine kinase (TK) inhibitors including nilotinib, employed clinically the treatment chronic myeloid leukemia, are activators enzyme Human MutT Homolog 1 (MTH1). MTH1 cleanses oxidatively damaged cellular nucleotide pool by hydrolyzing oxidized...

Erstmals konnte ein zweikerniges metallvermitteltes Basenpaar mit zweiwertigen Metallionen erzeugt werden. Dies gelang durch Kombination des neutralen Purinderivats 1,N6-Ethenoadenin (ϵA), das als doppelt einzähniger Ligand bevorzugt zwei über parallel ausgerichtete N-M-Bindungen bindet, der kanonischen Nucleobase Thymin (T), die in Gegenwart von HgII deprotoniert wird und so angehäufte positive Ladung geringem Abstand zueinander lokalisierten teilweise kompensiert, dass zweikernige...

Abstract New triazole-based tridentate ligands were synthesized, and their crystal structures determined. Through comparison with the of starting materials related published ligands, dependencies intermolecular interactions based on substitution patterns triazole motif identified. In addition to π-stacking interactions, hydrogen bonding, C–H···π emerged as key players in interactions. The observed variations these will aid design platinum(II) complexes specific properties.

A new fluorogenic probe based on exchange of hydrazones is described. The (Ac-RAB6) selective for pyridoxal phosphate among the B6 vitamins and other cellular aldehydes, enables assessment abnormal vitamin status in cells.

A family of luminescent Pt II complexes is presented capable binding DNA duplexes via groove binding. The are based on a tridentate ligand with N^N^C donor functionality bearing triazole, pyridine and phenyl entity. triazole group used to attach series pendant dodecane tethers differently charged functional head groups (neutral hydroxyl group, anionic sulfate cationic tetraalkylammonium group). DNA‐binding behavior the three resulting was characterized by UV/Vis, CD, luminescence...

Abstract The histidine derivative L1 of the DNA intercalator naphthalenediimide (NDI) forms a triangular Ag I complex (C2). interactions and C2 with were studied by circular dichroism (CD) UV/Vis spectroscopy viscosity studies. Different binding modes observed for C2, as is too large in size to act an intercalator. If added NDI molecule that already intercalated into duplex, higher order complexes are formed within duplex cause disruptions helical structure, which leads significant decrease...

Compound 1,3-diethyl-4-iodo-imidazolium iodide (H-1(I)) has been metalated at the C2 position through an oxidative addition/rearrangement reaction sequence. The addition of C4–I bond to low-valent transition metals [M(PPh3)4] (M = Pd, Pt) yields presumably complexes bearing abnormal carbene (aNHC) ligand. These undergo a subsequent intermolecular rearrangement leading via metalation classical monometallic NHC [2] and [3]. A plausible mechanism for formations [3] is proposed based on DFT...

The reaction of the bicyclic silicon(I) ring compound Si4{N(SiMe3)Mes}4 1 with strong zwitterionic character and moderate sterical demand amido substituents two equivalents KC8 was investigated. This resulted in unexpected abstraction from additionally dimerization to a dianionic Si8 cluster 2 four unsubstituted silicon atoms [K([18]crown‐6)]+ counter cations. Performing this absence [18]crown‐6 results release only one substituent 3 atoms. repeated trapping agents such as SiMe3Cl tBuCl were...

Chiral catalysts that can engage multiple substrates, via distinct activation modes, to deliver enantioenriched products with high levels of fidelity are often described as “privileged”. Antipodal enzymatic specificity, this generality enables the reactivity - selectivity divide in ground state landscapes be effectively reconciled. Achieving latitude excited paradigms remains a frontier, and efforts identify privileged chiral photocatalysts currently core area research. Aluminum salen...

The silicon(I) ring compound Si4{N(SiMe3)Mes}4 can be reduced by using KC8 in the presence of [18]crown-6 under abstraction four amido substituents. This results after dimerization first dianionic octasilacubane-type with unsubstituted silicon atoms. DFT calculations revealed that it exhibits a four-center–six-electron bond electron density inside cube. Further derivatizations absence but trapping reagents more and different anionic based clusters. More information found Research Article F....

Abstract Making one out of two : Dimeric boraza‐crown ethers bridge the gap between metallacrowns and aza‐crown with a strikingly simple synthesis. Dioxazaborocanes react alkoxides to form corresponding anionic boronates, which combine dimers upon ring‐opening reactions. The presence was proven in solid state solution by X‐ray crystallography NMR spectroscopy, respectively. influence sodium potassium ions on stability examined using DFT calculations. dissociation monomeric species found be...