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Sergey P. Verevkin – One of the best experts on this subject based on the ideXlab platform.

  • Benchmarking thermochemical experiments and calculations of nitrogen-containing substituted Adamantanes
    Journal of Thermal Analysis and Calorimetry, 2017
    Co-Authors: Vladimir N. Emel’yanenko, Ruslan N. Nagrimanov, Sergey P. Verevkin
    Abstract:

    Standard molar enthalpy of formation of 2-cyano-Adamantane was obtained by using high-precision combustion calorimetry. The standard molar enthalpies of sublimation of 2-cyano-Adamantane and 2,2-dinitro-Adamantane at 298.15 K were derived from the vapor pressure temperature dependences measured by transpiration. The molar enthalpies of fusion of these compounds were measured with the help of differential scanning calorimetry. Thermochemical data on functional substituted Adamantanes containing nitrogen in the substituents were collected and evaluated. The gas-phase enthalpies of formation were calculated with the high-level quantum-chemical method G4 and compared with the experimental results. The consistent data set of the benchmark quality was suggested for practical thermochemical calculations. Geminal destabilizing effects for the interactions of nitro- and cyano-substituents placed in the second position on the Adamantane cage were derived. Structure–property correlations for substituted Adamantanes and aliphatic substituted alkanes were found and suggested for the assessment of the gas-phase enthalpies of formation of Adamantane derivatives.

  • Adamantanes: Benchmarking of thermochemical properties
    The Journal of Chemical Thermodynamics, 2016
    Co-Authors: Vladimir N. Emel’yanenko, Ruslan N. Nagrimanov, Boris N. Solomonov, Sergey P. Verevkin
    Abstract:

    Abstract Standard molar enthalpies of formation of 2-adamantanone and 1-adamantanol were measured by using high-precision combustion calorimetry. Vapour pressures of 2-adamantanone, 1-acetylAdamantane, 1- and 2-carboxy-Adamantanes were measured by using the transpiration method. Standard molar enthalpies of sublimation of this substituted Adamantanes at 298.15 K were derived from vapour pressure temperature dependences. The standard molar enthalpy of solution of 1-acetylAdamantane in cyclohexane was measured with the high-precision solution calorimetry. An empirical procedure based on the solution calorimetry was developed to derive sublimation enthalpies of substituted Adamantanes independently. Molar enthalpies of fusion of 1-acetylAdamantane, 1- and 2-carboxy-Adamantanes were measured with help of DSC. Thermochemical data on oxygen containing Adamantane derivatives were collected and evaluated. Gas-phase enthalpies of formation calculated with the high-level quantum-chemical method G3MP2 and compared with the experimental results. The consistent data set of the benchmark quality is suggested for practical thermochemical calculations.

  • Thermodynamic properties of Adamantane revisited.
    The journal of physical chemistry. B, 2011
    Co-Authors: Ala Bazyleva, Vladimir N. Emel’yanenko, Sergey P. Verevkin, Andrey V. Blokhin, Gennady J. Kabo, Mikhail B. Charapennikau, Vladimir Diky
    Abstract:

    The heat capacity and parameters of the solid-to-solid phase transition of Adamantane were measured in the temperature range from 80 to 370 K by use of adiabatic calorimetry. The thermodynamic functions for the compound in the crystalline and liquid states were calculated. The standard molar enthalpy of formation in the crystalline state for Adamantane was obtained from combustion calorimetry by use of two different calorimeters. Available data on the enthalpy of combustion, saturated vapor pressure, and enthalpy of sublimation of Adamantane were collected, analyzed, and selected. On the basis of spectroscopic data and results of quantum-chemical calculations, the ideal-gas properties for Adamantane were calculated by a statistical therthermodynamics method.

Seiichi Nakahama – One of the best experts on this subject based on the ideXlab platform.

  • Synthesis of tetramers of 1,3-Adamantane derivatives
    Tetrahedron Letters, 2001
    Co-Authors: Takashi Ishizone, Hiroyuki Tajima, Shin-ichi Matsuoka, Seiichi Nakahama
    Abstract:

    Abstract Novel tetramers of 1,3-Adamantane and 5,7-dibutyl-1,3-Adamantane were synthesized by the coupling reaction of 3-bromo-1,1′-biAdamantane or 3-bromo-5,5′,7,7′-tetrabutyl-1,1′-biAdamantane with sodium in n -octane or with magnesium in diethyl ether. Although the former 1,3-Adamantane tetramer showed poor solubility in organic solvents, the latter tetrameric 5,7-dibutyl-1,3-Adamantane was readily soluble in THF, chloroform and benzene and was successfully characterized by NMR, IR, SEC and elemental analyses.

Vladimir N. Emel’yanenko – One of the best experts on this subject based on the ideXlab platform.

  • Benchmarking thermochemical experiments and calculations of nitrogen-containing substituted Adamantanes
    Journal of Thermal Analysis and Calorimetry, 2017
    Co-Authors: Vladimir N. Emel’yanenko, Ruslan N. Nagrimanov, Sergey P. Verevkin
    Abstract:

    Standard molar enthalpy of formation of 2-cyano-Adamantane was obtained by using high-precision combustion calorimetry. The standard molar enthalpies of sublimation of 2-cyano-Adamantane and 2,2-dinitro-Adamantane at 298.15 K were derived from the vapor pressure temperature dependences measured by transpiration. The molar enthalpies of fusion of these compounds were measured with the help of differential scanning calorimetry. Thermochemical data on functional substituted Adamantanes containing nitrogen in the substituents were collected and evaluated. The gas-phase enthalpies of formation were calculated with the high-level quantum-chemical method G4 and compared with the experimental results. The consistent data set of the benchmark quality was suggested for practical thermochemical calculations. Geminal destabilizing effects for the interactions of nitro- and cyano-substituents placed in the second position on the Adamantane cage were derived. Structure–property correlations for substituted Adamantanes and aliphatic substituted alkanes were found and suggested for the assessment of the gas-phase enthalpies of formation of Adamantane derivatives.

  • Adamantanes: Benchmarking of thermochemical properties
    The Journal of Chemical Thermodynamics, 2016
    Co-Authors: Vladimir N. Emel’yanenko, Ruslan N. Nagrimanov, Boris N. Solomonov, Sergey P. Verevkin
    Abstract:

    Abstract Standard molar enthalpies of formation of 2-adamantanone and 1-adamantanol were measured by using high-precision combustion calorimetry. Vapour pressures of 2-adamantanone, 1-acetyl-Adamantane, 1- and 2-carboxy-Adamantanes were measured by using the transpiration method. Standard molar enthalpies of sublimation of this substituted Adamantanes at 298.15 K were derived from vapour pressure temperature dependences. The standard molar enthalpy of solution of 1-acetyl-Adamantane in cyclohexane was measured with the high-precision solution calorimetry. An empirical procedure based on the solution calorimetry was developed to derive sublimation enthalpies of substituted Adamantanes independently. Molar enthalpies of fusion of 1-acetyl-Adamantane, 1- and 2-carboxy-Adamantanes were measured with help of DSC. Thermochemical data on oxygen containing Adamantane derivatives were collected and evaluated. Gas-phase enthalpies of formation calculated with the high-level quantum-chemical method G3MP2 and compared with the experimental results. The consistent data set of the benchmark quality is suggested for practical thermochemical calculations.

  • Thermodynamic properties of Adamantane revisited.
    The journal of physical chemistry. B, 2011
    Co-Authors: Ala Bazyleva, Vladimir N. Emel’yanenko, Sergey P. Verevkin, Andrey V. Blokhin, Gennady J. Kabo, Mikhail B. Charapennikau, Vladimir Diky
    Abstract:

    The heat capacity and parameters of the solid-to-solid phase transition of Adamantane were measured in the temperature range from 80 to 370 K by use of adiabatic calorimetry. The thermodynamic functions for the compound in the crystalline and liquid states were calculated. The standard molar enthalpy of formation in the crystalline state for Adamantane was obtained from combustion calorimetry by use of two different calorimeters. Available data on the enthalpy of combustion, saturated vapor pressure, and enthalpy of sublimation of Adamantane were collected, analyzed, and selected. On the basis of spectroscopic data and results of quantum-chemical calculations, the ideal-gas properties for Adamantane were calculated by a statistical thermodynamics method.

G.p. Wang – One of the best experts on this subject based on the ideXlab platform.

  • Adamantane-based epoxy resin and siloxane-modified Adamantane-based epoxy resin: Characterization of thermal, dielectric and optical properties
    Reactive & Functional Polymers, 2015
    Co-Authors: C.w. Tsai, C.c. Yang, G.p. Wang
    Abstract:

    Abstract An Adamantane-based epoxy resiresin (ADEP) and a siloxane-modified Adamantane-based epoxy resiresin (Siloxane-ADEP) were synthesized, and their chemical structures were confirmed from FT-IR, 1H, 13C and 29Si NMR spectroscopy measurements. The morphological, thermal, dielectric and optical properties of ADEP and Siloxane-ADEP were studied. The introduction of the Adamantane group into the chain of the epoxy resiresin resulted in improvements in the thermal, mechanical and dielectric properties. These results can be explained in terms of the tricyclic hydrhydrocarbon of the Adamantane in a diamond lattice structure and the movement of polymer chains being limited by chair-form cyclohexane rings, resulting in an immobile epoxy structure. Moreover, Siloxane-ADEP exhibited good thermal, mechanical and dielectric properties that were similar to those of epoxy resiresin, and its better processability may extend its application to electronic packing materials. The UV–Vis transmission spectra revealed that the Adamantane-containing epoxy membranes exhibited novel ultraviolet light-filtering properties.

Kathy L Rowlen – One of the best experts on this subject based on the ideXlab platform.

  • detection of Adamantane resistant influenza on a microarray
    Journal of Clinical Virology, 2008
    Co-Authors: Michael B Townsend, Alexander Klimov, James A Smagala, Erica D Dawson, Varough M Deyde, Larisa V Gubareva, Robert D Kuchta, Kathy L Rowlen
    Abstract:

    Abstract Background Influenza A has the ability to rapidly mutate and become resistant to the commonly prescribed influenza therapeutics, thereby complicating treatment decisions. Objective To design a cost-effective low-density microarray for use in detection of influenza resistance to the Adamantanes. Study design We have taken advantage of functional genomics and microarray technology to design a DNA microarray that can detect the two most common mutations in the M2 protein associated with Adamantane resistance, V27A and S31N. Results In a blind study of 22 influenza isolates, the antiviral resistance-chip (AVR-Chip) had a success rate of 95% for detecting these mutations. Microarray data from a larger set of samples were further analyzed using an artificial neural network and resulted in a correct identification rate of 94% for influenza virus samples that had V27A and S31N mutations. Conclusions The AVR-Chip provided a method for rapidly screening influenza viruses for Adamantane sensitivity, and the general approach could be easily extended to detect resistance to other chemotherapeutics.