A5089679842- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Chemical Thermodynamics and Molecular Structure
- Molecular Sensors and Ion Detection
- Crystal structures of chemical compounds
- Analytical Chemistry and Chromatography
- Thermal and Kinetic Analysis
- Crystallography and molecular interactions
- thermodynamics and calorimetric analyses
- Catalysis and Oxidation Reactions
- Organophosphorus compounds synthesis
- Synthesis and Biological Evaluation
- Analytical Chemistry and Sensors
- Synthesis and biological activity
- Catalytic Processes in Materials Science
- Mass Spectrometry Techniques and Applications
- Molecular spectroscopy and chirality
- Thermodynamic properties of mixtures
- Organometallic Compounds Synthesis and Characterization
- Synthesis and Reactivity of Heterocycles
- Fractal and DNA sequence analysis
- Phenothiazines and Benzothiazines Synthesis and Activities
- Drug Solubulity and Delivery Systems
- Synthesis and characterization of novel inorganic/organometallic compounds
- Photochemistry and Electron Transfer Studies
Institute of Physiologically Active Compounds
2010-2022
Russian Academy of Sciences
2012-2016
Scientific Center of RAS in Chernogolovka
2016
Institute of Solution Chemistry
2009
Semenov Institute of Chemical Physics
1989-1991
Thermodynamics of 18-crown-6 complexes with ammonium cations (NH4, MeNH3, Me2NH2, Me3NH, Me4N, Et4N, PhNH3, and PhCH2NH3 ) in methanol were determined by titration calorimetry. The results show strong contributions from entropy terms counteracting the enthalpy complexation, a linear decrease complexation free energy ΔG number available N–H hydrogen bonds. In several cases formation relatively containing two ions per crown unit was observed. Tetramethylammonium no detectable association...
Solubility values of 39 sulfonamides in water, 1-octanol, and 1-hexane were determined by the isothermal saturation method. Thermophysical characteristics fusion processes (melting points enthalpies) selected substances measured DSC The impact molecule structural modification on solubility solvents was analyzed. Transfer from water to 1-hexane, 1-octanol studied. Correlation equations connecting Gibbs energies transfer with physicochemical descriptors thermophysical obtained.
We present experimental and theoretical studies on new ionophores (L) which possess a high complexation ability for Li+ or Na+ cations. Four tri-podands (R1–O–C2H4–)3N [R1 = –CH2–P(O)Ph2 (P1), –C2H4– P(O)Ph2 (P2), -o-C6H4P(O)Ph2 (P3) -o-C6H4–CH2–P(O)Ph2 (P4)], one bi-podand (R2–O–C2H4–)2N–CH3 [R2 (P5)] mono-podand [R2–O–(CH2–CH2–O)3–R2 (P6)] containing phosphine oxide terminal groups have been synthesised. Stability constants, enthalpies entropies of their with lithium, sodium potassium...
Stability constants and enthalpy changes determined by calorimetric titrations supported selected NMR are reported for the complexation of sodium potassium cations with 18 different crown ethers containing nitrogen atoms number, location substitution pattern. The data, measured in methanol mostly salts, compared to literature data; they show striking differences between all-oxygen analogs macrocycles NH groups. In contrast, affinities aza bearing alkyl groups at as well cryptand [2.2.2] come...
Eight adamantane derivatives of sulfonamides were synthesized and characterized.
1-Octanol/water partition coefficients log Kow of 38 sulfonamides were determined by the isothermal saturation method. These values used both for direct correlation and as test data verification a regression equation calculation on basis two physicochemical descriptors (molecular polarizability, surrogate molecular size, H-bond acceptor ability). Comparison experimental calculated demonstrated wide applicability those equations.
Equilibrium constants of complexes between β-cyclodextrin and glucose, galactose, or mannose have been determined by fluorometric competition titrations in water to be as low K = 1 – 0.5 M −1 , sharp contrast recently published values for glucose around 400 –1 . The pentoses ribose, xylose, arabinose show association 6.3 1.5 agreement with values. Preliminary computer-aided molecular modelling studies suggest that the small observed hexoses are not due steric hindrance an intracavity...
Solubility values of 20 hydrazones in water, 1-octanol and hexane were determined by the isothermal saturation method. Thermophysical characteristics fusion processes (melting points enthalpies) selected substances measured DSC The impact structural modification molecules on solubility solvents was analyzed. Transfer from water to Correlation equations connecting transfer coefficients with physicochemical descriptors obtained.
Thermodynamics of 18-crown-6 complexes with ammonium cations (NH4, MeNH3, Me2NH2, Me3NH, Me4N, Et4N, PhNH3, and PhCH2NH3 ) in methanol were determined by titration calorimetry. The results show strong contributions from entropy terms counteracting the enthalpy complexation, a linear decrease complexation free energy ΔG number available N–H hydrogen bonds. In several cases formation relatively containing two ions per crown unit was observed. Tetramethylammonium no detectable association...
The first 1,2‐dicarbonitriles have been prepared for cyclazine systems. In particular, a synthetic procedure to 1,2‐dicyano‐3‐arylcycl[3.2.2]azines has developed. Unexpected chlorination of 3‐arylcycl[3.2.2]azine‐1,2‐dicarboxylic acid derivatives by thionyl chloride at 4‐position was found, which according theoretical considerations can proceed the electrophilic (S E Ar) mechanism. compounds are blue fluorophores in 450–480 nm region with quantum yields toluene ca. 30 % non‐chlorinated...
In the crystal structure of title compound, C12H9Cl2NO2S, dihedral angle between two benzene rings is 54.8 (2)°. Intermolecular N—H⋯O hydrogen bonds lead to infinite helices along b axis.
The title compound, C 12 H 10 Cl 2 N O S, was crystallized from a water–ethanol mixture. dihedral angle between the two benzene rings is 64.86 (11)°. N—H...O and N—H...N hydrogen bonds NH SO groups link molecules into layers.
To study the relation between structure of a compound and its properties is one fundamental trends in chemistry materials science. A classic example well-known influence structures diamond graphite on their physicochemical properties, particular, hardness. However, some other these allotropic modifications carbon, e.g., fractal are poorly understood. In this work, spatial series (interatomic distance histograms) calculated using crystal investigated. Hurst exponents H estimated detrended...
КЛАССИФИКАЦИОННЫЕ QSAR МОДЕЛИ СУБСТРАТНОЙ АКТИВНОСТИ ХИМИЧЕСКИХ СОЕДИНЕНИЙ