Search Results - "Stepanian, G S"

Conformers of Nonionized Proline. Matrix-Isolation Infrared and Post-Hartree−Fock ab Initio Study by Stepanian, S. G, Reva, I. D, Radchenko, E. D, Adamowicz, L

“…Matrix-isolation IR spectroscopy and ab initio calculations performed at the DFT, MP2, MP4, and CCSD(T) levels of theory were employed to investigate the…”
Get full text

Matrix-Isolation Infrared and Theoretical Studies of the Glycine Conformers by Stepanian, S. G, Reva, I. D, Radchenko, E. D, Rosado, M. T. S, Duarte, M. L. T. S, Fausto, R, Adamowicz, L

“…The IR spectra of nonionized glycine and its deuterated derivatives isolated in the low-temperature argon matrices have been measured, and for the first time…”
Get full text

Photoluminescent MoS2 quantum dots surrounded by nucleotides: an experimental and theoretical study by Karachevtsev, V. A., Kurnosov, N. V., Stepanian, S. G., Voloshin, I. M., Lytvyn, O. S., Plokhotnichenko, A. M., Adamowicz, L.

“…In recent years, the use of biomolecules as dispersants for the preparation of 2D nanomaterials by direct liquid-phase exfoliation (LPE) using ultrasonication…”
Get full text

Combined Matrix-Isolation Infrared and Theoretical DFT and ab Initio Study of the Nonionized Valine Conformers by Stepanian, S. G, Reva, I. D, Radchenko, E. D, Adamowicz, L

“…We present results of the first experimental observation of the nonionized natural amino acid valine. The study has employed the matrix-isolation IR…”
Get full text

Conformational Behavior of α-Alanine. Matrix-Isolation Infrared and Theoretical DFT and ab Initio Study by Stepanian, S. G, Reva, I. D, Radchenko, E. D, Adamowicz, L

“…Two conformers of the nonionized α-alanine and its isotopomer N,N,O-d 3-alanine have been observed in low-temperature Ar matrixes. Their infrared spectra have…”
Get full text

Behavior of hybrid thermosensitive nanosystem dextran-graft-PNIPAM/gold nanoparticles: characterization within LCTS by Kutsevol, N., Glamazda, A., Chumachenko, V., Harahuts, Yu, Stepanian, S. G., Plokhotnichenko, A. M., Karachevtsev, V. A.

“…Thermally responsive polymers based on poly (N-isopropylacrylamide) (PNIPAM) with lower critical solution temperature (LCST) in the region of physiological…”
Get full text

Modeling of nucleobase/oligonucleotide interaction with graphene and graphene oxide: the role of charging and/or oxidizing the graphene surface by Karachevtsev, M. V., Stepanian, S. G., Adamowicz, L., Karachevtsev, V. A.

“…We analyze the influence of the charge and the degree of oxidation of the surface of graphene (Gr) on its interaction with cytosine and oligonucleotide r(C) 10…”
Get full text

Missing conformers. Comparative study of conformational cooling in cyanoacetic acid and methyl cyanoacetate isolated in low temperature inert gas matrixes by Reva, I.D, Stepanian, S.G, Adamowicz, L, Fausto, R

“…A comparative conformational study of two related systems, methyl cyanoacetate (MCA) and cyanoacetic acid (CAA), is presented. Ab initio calculations predicted…”
Get full text

Absorption and fluorescent spectral studies of imidazophenazine derivatives by Ryazanova, O.A, Zozulya, V.N, Voloshin, I.M, Karachevtsev, V.A, Makitruk, V.L, Stepanian, S.G

“…Absorption and fluorescent spectra as well as fluorescence polarization degree of imidazo-[4,5-d]-phenazine (F1) and its two modified derivatives,…”
Get full text

H-Bonded and Stacked Dimers of Pyrimidine and p-Benzoquinone. A Combined Matrix Isolation Infrared and Theoretical ab Initio Study by McCarthy, W, Plokhotnichenko, A. M, Radchenko, E. D, Smets, J, Smith, D. M. A, Stepanian, S. G, Adamowicz, L

“…Matrix isolation IR spectroscopy and high-level ab initio calculations were applied to investigate the structure and vibrational spectra of quinone−pyrimidine…”
Get full text

SWNT-DNA and SWNT-polyC hybrids: AFM study and computer modeling by Karachevtsev, M V, Lytvyn, O S, Stepanian, S G, Leontiev, V S, Adamowicz, L, Karachevtsev, V A

“…Hybrids of carbon single-walled nanotubes (SWNT) with fragmented single or double-stranded DNA (fss- or fds-DNA) or polyC were studied by Atom Force Microscopy…”
Get more information

Combined Mass Spectrometric and ab Initio Study of the Point Contacts between 9-Methyladenine and the Amide Group by Galetich, I, Stepanian, S. G, Shelkovsky, V, Kosevich, M, Blagoi, Yu. P, Adamowicz, L

“…We applied the temperature-dependent field ionization mass spectrometry method to determine the interaction energy between 9-methyladenine and acrylamide…”
Get full text

Modeling of nucleobase/oligonucleotide interaction with graphene and graphene oxide: the role of charging and/or oxidizing the graphene surface by Karachevtsev, M. V, Stepanian, S. G, Adamowicz, L, Karachevtsev, V. A

“…Mol. Cryst. Liq. Cryst. 2020, Vol. 697(1), 49-59 We analyze the influence of the charge and the degree of oxidation of the surface of graphene (Gr) on its…”
Get full text

Rich structural topology of the anion formed by the complex of acetonitrile with two water molecules by Stepanian, S.G., Adamowicz, L.

“…[Display omitted] •Structure of anion trimer of an acetonitrile and two water molecules is studied.•Eight anion configurations are identified.•Three categories…”
Get full text

p-Quinone Dimers:  H-Bonding vs Stacked Interaction. Matrix-Isolation Infrared and ab Initio Study by Plokhotnichenko, A. M, Radchenko, E. D, Stepanian, S. G, Adamowicz, L

“…Matrix-isolation IR spectroscopy and ab initio calculations have been used to investigate the structure and the vibrational spectrum of the quinone dimer…”
Get full text

Pre-resonance Raman and IR absorption spectroscopy of imidazophenazine and its derivatives: Experimental and ab initio study by Karachevtsev, V.A., Zarudnev, E.S., Glamazda, A.Yu, Plokhotnichenko, A.M., Zozulya, V.N., Stepanian, S.G., Adamowicz, L.

“…The pre-resonance Raman and IR absorption spectroscopy techniques have been applied to study the influence of substitutes in the imidazole ring of…”
Get full text

Combined Raman scattering and ab initio investigation of the interaction between pyrene and carbon SWNT by STEPANIAN, S. G., KARACHEVTSEV, V. A., GLAMAZDA, A. YU, DETTLAFF-WEGLIKOWSKA, U., ADAMOWICZ, L.

“…Raman spectra of HiPco SWNT and SWNT-pyrene films were measured in the 160-1800 cm −1 range. Due to the non-covalent interaction between SWNT and pyrene the…”
Get full text

Dependence of the biological activity and mass spectrometric pattern on the structure peculiarities of the molecule of alkylating drug thiotepa by Kosevich, Marina V., Shelkovsky, Vadim S., Stepanian, Stepan G.

“…Structural and electronic parameters of the chemotherapeutic alkylating drug thiotepa obtained by MNDO and MINDO/3 quantum mechanical calculations are used to…”
Get full text

Structural and spectral transformation of cationic porphyrin TMPyP4 at adsorption on graphene by Karachevtsev, V.A., Stepanian, S.G., Karachevtsev, M.V., Valeev, V.A., Adamowicz, L.

“…•Large twisting of side rings of cationic porphyrin adsorbed to graphene induces the strong molecule flattening.•Soret band red shifting at adsorption of…”
Get full text

Graphene induced molecular flattening of meso-5,10,15,20-tetraphenyl porphyrin: DFT calculations and molecular dynamics simulations by Karachevtsev, V.A., Stepanian, S.G., Karachevtsev, M.V., Adamowicz, L.

“…[Display omitted] •TPP adsorption on graphene is accompanied with the porphyrin molecule flattening.•Side rings of TPP adsorbed to graphene are twisted…”
Get full text