30 research outputs found
Влияние фосфатных связующих на физико-механические свойства периклазохромитовых огнеупоров
У данній статті наведено та порівняно фізико-механічні властивості периклазо-хромітових матеріалів в залежності від різних типів фосфатних зв’язуючих та введення різних домішок. Визначено, що найбільш раціональним є введення триполіфосфату натрію.In given clause are resulted and the physycal-mechanical properties periclase-cgromite of materials are compared depending on different of types phosphate binding and introduction of the various additives. Is determined, that most rational is the introduction treepolyphosphate sodume
Aza-macrocyclic triphenylamine ligands for G-quadruplex recognition
A new series of triphenylamine-based ligands with one (TPA1PY), two (TPA2PY) or three pending aza-macrocycle(s) (TPA3PY) have been synthesised and studied by means of pH-metric titrations, UV/Vis spectroscopy and fluorescence experiments. The affinity of these ligands for G-quadruplex (G4) DNA and its selectivity over duplex DNA were investigated by FRET melting assays, fluorimetric titrations and circular dichroism (CD) spectroscopy. Interestingly, the interaction of the bi- and specially the tri-branched ligand with G4 leads to a very intense red-shifted fluorescence emission band which may be associated with intermolecular aggregation between the molecule and the DNA. This light-up effect allows the application of the ligands as fluorescence probes to selectivity detect G4
Development of polyamine substituted triphenylamine ligands with high affinity and selectivity for G-quadruplex DNA
Currently significant efforts are devoted to designing small molecules able to bind selectively to guanine-quadruplexes (G4s). These non-canonical DNA structures are implicated in various important biological processes and have been identified as potential targets for drug development. Previously, we reported a series of triphenylamine(TPA)-based compounds including macrocyclic polyamines, which display high affinity towards G4 DNA. Following from this initial work, herein we present a series of second-generation compounds, in which the central TPA has been functionalised with flexible and adaptive linear polyamines, aiming to maximise the selectivity towards G4 DNA. The acid-base properties of the new derivatives have been studied by means of potentiometric titrations, UV-Vis and fluorescence emission spectroscopies. The interaction with G4s and duplex DNA has been explored using FRET melting assays, fluorescence spectroscopy and circular dichroism. Compared to our previously TPA derivatives with macrocyclic substituents, the new ligands reported herein retain the G4 affinity, but display two orders of magnitude higher selectivity for G4 vs. duplex DNA, most likely due to the ability of the linear substituents to embrace the G4 structure
Structural-topological preferences and protonation sequence of aliphatic polyamines: a theoretical case study of tetramine trien
A large set of lowest and medium energy conformers
of aliphatic tetramine trien was used to uncover
structural-topological preferences of poliamines. Numerous
common structural features among HL and H2L tautomers
were identified, e.g., H-atoms of protonated functional groups
are always involved in intramolecular NH•••N interactions
and they result in as large and as many as possible rings in
lowest energy conformers. Largest, 11-membered, molecular
rings stabilize a molecule most and they appeared to be strain
free whereas 5-memebred intramolecular rings were most
strained (all formed due to NH•••N interactions). The
CH•••HC interactions with QTAIM-defined atomic interaction
lines were also found but, surprisingly, mainly in the
lowest energy conformers of HL tautomers. According to
the non-covalent interaction-based (NCI) analysis, 5-
memebered rings formed by CH•••HC interactions are not
strained and, in general, 3D NCI isosurfaces mimic those obtained
for weaker NH•••N interactions. Also, 3D NCI
isosurfaces found for NH•••N and CH•••HC interactions, regardless
whether linked or not by an atomic interaction line,
appeared to be indistinguishable. Using lowest energy conformers,
theoretically predicted mixture of primary (HLp)
and secondary (HLs) forms of trien was found to be in accord
with the literature reports; using linear conformers resulted in predicting HLs as the only tautomer formed. In contrast to HF,
the overall performance of B3LYP was found satisfactory for
the purpose of the study.National Research Foundation of South Africa (Grant Numbers 87777) and the University of Pretoria.http://link.springer.com/journal/8942016-06-30hb201