IR-spectrum

Intermolecular Interaction in Two-component Compounds of Nanodiamonds and Doxorubicin

Background and Objectives: Detonation nanodiamond (ND) is one of the most promising materials for targeted drug delivery – one of rapidly developing areas of modern chemistry, pharmacology and medicine. Wide possibilities of surface modification and advantageous dimensions make nanodiamonds very attractive objects for using in the drug delivery process. A number of studies have shown that therapeutic efficacy of drugs is enhanced and their toxicities may be attenuated with immobilization on the enriched ND. There are a lot of drug immobilization methods on ND surfacy.

Influence of the Hydrogen Bond on the IR-spectrum and Structure of Molecular Complex of Diamond Nanoparticles and DNA Bases

Authors: Bokarev A. N., Plastun I. L., Agandeeva K. E.

Background and Objectives: Using molecular modeling by the density functional theory method we analyze a hydrogen bonds formation and their influence on IR-spectrum and structure of molecular complex which is formed as the interaction of complementary couple of DNA nucleobases adenine and timin and nanodiamonds surrounded with carboxylic groups. As an example of nanodiamonds adamantine has been used. Intermolecular forces and structure of hydrogen bonds are investigated.

The Manifestation’s Research of the Pair Association in the Pyridine’s Ir-Spectrums by the Matrix Isolation Technique

Authors: Berezin K. V., Nechaev V. V., Kozlov O. V., Novoselova A. V., Chernavina M. L., Berezin V. I., Berezina M. K., Novoselov V. V.

The calculation of structure, frequencies of normal fluctuations and the strips intensity in IR-spectrums of five dimer of pyridine with hydrogen communication has been performed by the matrix solation technique B3LYP/6-311+G (d, p). The number’s modeling of the difficult oscillatory contours in the pyridine’s IR-spectrum was executed taking into account the intermolecular interaction.