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Conformations, protonation sites, and metal complexation of benzohydroxamic Acid. A theoretical and experimental study.
TLDR
Calculations at the RHF/cc-pVDZ level, refined by the B3LYP/AUG-cc- pVDZ method, indicate that, in the gas phase, Z amide is the most stable structure of both neutral and deprotonated BHA.
DNA-binding of nickel(II), copper(II) and zinc(II) complexes: structure-affinity relationships
Abstract Nickel(II), copper(II) and zinc(II) complexes with the same ligands normally display analogous coordination geometry and binding mode toward DNA. However, although qualitatively alike in
On the properties of 1-butyl-3-methylimidazolium octylsulfate ionic liquid
This work reports on a theoretical and experimental study on the ionic liquid 1-butyl-3-methylimidazolium octylsulfate ([BMIM]OS). The halogen-free ionic liquid [BMIM]OS is a stable solvent regarding
Formamide–(C1–C5) alkan-1-ols solvent systems
Excess volumes, excess viscosities, and exess Gibbs energies of activation for viscous flow of binary liquid mixtures of formamide with (C1–C5) alkan-1-ols have been calculated from the densities and
New insights into the mechanism of the DNA/doxorubicin interaction.
TLDR
Two different types of calf thymus DNA (ctDNA)/DOX complexes are characterized for the first time: PD1 for C(DOX)/C(DNA) < 0.3, and PD2 for higher drug content.
Interaction of the DNA bases and their mononucleotides with pyridine-2-carbaldehyde thiosemicarbazonecopper(II) complexes. Structure of the cytosine derivative.
TLDR
The complexation constants of these compounds, calculated by Hildebrand-Benesi plots for the dye binding, D, ([CuL] or [CuL']) to the nucleobases or nucleotides (P), have shown two linear stretches in adenine, guanine, dAMP and dGMP.
Measurements and predictive models for the N-methyl-2-pyrrolidone/water/methanol system.
TLDR
This work reports on the properties and structure of N-methyl-2-pyrrolidone in binary and ternary liquid mixtures with water and/or methanol and concludes the existence of strong heteroassociations and hydrogen bonding self-associationations that determine the complex nature of the fluid structure.
Studies on densities and viscosities of binary mixtures of alkyl benzoates in n-heptane
Abstract Densities and viscosities have been determined for the two binary mixtures of methyl and ethyl benzoate in n-heptane at different concentrations and temperatures. The corresponding excess
Shear viscosities of the N-methylformamide–andN,N-dimethylformamide–(C1–C10) alkan-1-ol solvent systems
Viscosities of some N-methylformamide– and N,N-dimethylformamide–(C 1 –C 10 ) alkan-1-ol binary mixtures have been measured at 298.15 K over the whole composition range. The excess
Mechanism of Ni2+ and NiOH+ interaction with hydroxamic acids in SDS: evaluation of the contributions to the equilibrium and rate parameters in the aqueous and micellar phase.
TLDR
The agreement between the equilibrium constants derived from kinetics and those obtained by static measurements confirms the validity of the proposed mechanism.
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