Home / The University / Faculties / Faculty of Chemistry and Pharmacy / Structures / Departments / Physical Chemistry / Lecturers / Prof. Anela Ivanova, PhD / Publication list of Prof. Dr. Anela Ivanova

   
  1. Iliev, S.; Tsibranska, S.; Ivanova, А.; Tcholakova, S. and Denkov, N. (2023): Computational assessment of hexadecane freezing by equilibrium atomistic molecular dynamics simulations. Journal of Colloid and Interface Science, 638, 743-757
  2. Iliev,S.; Tsibranska, S.; Kichev, I.; Tcholakova,S.; Denkov, N. and Ivanova, A. (2023): Computational procedure for analysis of crystallites in polycrystalline solids of quasilinear molecules. Molecules, 28, 2327
  3. Exner, K. S. and Ivanova, A. (2022): Doxorubicin-peptide-gold nanoparticle conjugate as a functionalized drug delivery system: exploring the limits. Physical Chemistry Chemical Physics, 24, 14985-14992
  4. Ivanova, G.; Bozova, N.; Petkov, N.; An, C.; Hu, B.; Mutovska, M.; Konstantinov, K.; Zagranyarski, Y.; Videva, V.; Yordanova, A.; Baumgarten, M. and Ivanova A. (2022): Benchmarking of density functionals for the description of optical properties of newly synthesized π-conjugated TADF blue emitters. Chemistry – A European Journal, e202104411
  5. Wilson, C. G.; Aarons, L.; Augustijns, P.; Brouwers, J.; Darwich, A. S.; De Waal, T.; Garbacz, G.; Hansmann, S.; Hoc, D.; Ivanova, A.; Koziolek, M.; Reppas, Ch.; Schick, Ph.; Vertzoni, M. and García-Horsman, J. A. (2022): Integration of advanced methods and models to study drug absorption and related processes: An UNGAP perspective. European Journal of Pharmaceutical Sciences, 172, 106100
  6. Ivanova, N. and Ivanova, A. (2022): Influence of the dimensionality of the periodic boundary conditions on the transport of a drug-peptide complex across model cell membranes. Journal of Biomolecular Structure and Dynamics, 40, 5345-5356
  7. Tsibranska, S.; Ivanova, А.; Tcholakova, S. and Denkov, N. (2021): Structure and undulations of escin adsorption layer at water surface studied by molecular dynamics. Molecules, 26, 6856-6872
  8. Petkov, N.; Ivanova, A.; Trifonov, A. A.; Buchvarov, I. C.; Stanimirov, S. S. (2021): Transient absorption, femtosecond dynamics, vibrational coherence and molecular modelling of the photoisomerization of N-salicylidene-o-aminophenol in solution. Physical Chemistry Chemical Physics, 23, 20989-21000
  9. Schaber, E. N.; Ivanova, N.; Iliev, S.; Petrova, J.; Gocheva, G.; Madjarova, G. and Ivanova, A. (2021): Initial stages of spontaneous binding of folate-based vectors to folate receptor-α observed by unbiased molecular dynamics. The Journal of Physical Chemistry B, 125, 7598-7612
  10. Exner, K. S. and Ivanova, A. (2021): Method to construct volcano relations by multiscale modeling: building bridges between the catalysis and biosimulation communities. The Journal of Physical Chemistry B, 125, 2098-2104
  11. Tannert, A.; Garcia Lopez, J.; Petkov, N.; Ivanova, A.; Peneva, K. and Neugebauer, U. (2021): Lysosome-targeting pH indicator based on peri-fused naphthalene monoimide with superior stability for long term live cell imaging. Journal of Materials Chemistry B, 9, 112-124
  12. Mustan, F.; Ivanova, A.; Tcholakova, S. and Denkov, N. (2020): Revealing the origin of the specificity of calcium and sodium cations binding to adsorption monolayers of two anionic surfactants. The Journal of Physical Chemistry B, 124, 10514-10528
  13. Exner, K. S. and Ivanova, A. (2020): Identifying a gold nanoparticle as a proactive carrier for transport of a doxorubicin-peptide complex. Colloids and Surfaces B: Biointerfaces, 194, 111155
  14. Gocheva, G.; Ivanova, N.; Iliev, S.; Petrova, J.; Madjarova, G. and Ivanova, A. (2020): Characteristics of a folate receptor-α anchored into a multilipid bilayer obtained from atomistic molecular dynamics simulations. Journal of Chemical Theory and Computation, 16, 749-764
  15. Tsibranska, S.; Ivanova, А.; Tcholakova, S. and Denkov, N. (2019): Structure of dense adsorption layers of escin at the air−water interface studied by molecular dynamics simulations. Langmuir, 35, 12876-12887
  16. Gocheva, G.; Petkov, N.; Garcia Luri, A.; Iliev, S.; Ivanova, N.; Petrova, J.; Mitrev, Y.; Madjarova, G. and Ivanova, A. (2019): Tautomerism in folic acid: Combined molecular modelling and NMR study. Journal of Molecular Liquids, 292, 111392
  17. Gocheva, G. and Ivanova, A. (2019): A look at receptor-ligand pairs for active-targeting drug delivery from crystallographic and molecular dynamics perspectives. Molecular Pharmaceutics, 16, 3293-3321
  18. Gocheva, G.; Peneva, K. and Ivanova, A. (2019): Self-assembly of doxorubicin and a drug-binding peptide studied by molecular dynamics. Chemical Physics, 525, 110380
  19. Hu, B.-L.; An, C.; Wagner, M.; Ivanova, G.; Ivanova, A. and Baumgarten, M. (2019) Three-Dimensional Pyrene-Fused N‑Heteroacenes. Journal of the American Chemical Society, 141, 5130-5134
  20. Petrova, J.; Gocheva, G.; Ivanova, N.; Iliev, S.; Atanasova, B.; Madjarova, G. and Ivanova, A. (2019): Molecular simulation of the structure of folate and antifolates at physiological conditions. Journal of Molecular Graphics and Modelling, 87, 172-184
  21. Iliev, S.; Gocheva, G.; Ivanova, N.; Atanasova, B.; Petrova, J.; Madjarova, G. and Ivanova, A. (2018): Identification and computational characterization of isomers with cis and trans amide bonds in folate and analogues. Physical Chemistry Chemical Physics, 20, 28818-28831
  22. Bhatt, P.; Kolanji, K.; Ivanova, A.; Yogi, A.; Jakob, G.; Mukadam, M. D.; Yusuf, S. M.; Baumgarten, M. (2018): Magnetic exchange interaction in nitronyl nitroxide radical-based single crystals of 3d metal complexes: A combined experimental and theoretical study. ACS Omega, 3, 2918-2933.
  23. Gocheva, G.; Ilieva, N.; Peneva, K. and Ivanova, A. (2018): Characterization of the interaction forces in a drug carrier complex of doxorubicin with a drug-binding peptide. Chemical Biology and Drug Design, 91, 874-884
  24. Ivanova, N. and Ivanova, A. (2018): Testing the limits of model membrane simulations-bilayer composition and pressure scaling. Journal of Computational Chemistry, 39, 387-396
  25. Tsibranska, S.; Ivanova, А.; Tcholakova, S. and Denkov, N. (2017): Self-assembly of escin molecules at the air-water interface studied by molecular dynamics. Langmuir, 33, 8330-8341
  26. Petrova, J.; Ivanova, A. and Tadjer A. (2017): Density functional theory assessment of the environment polarity effect on polyaniline-water coupling. The Journal of Physical Chemistry А, 131, 6327-6335
  27. Valchanov, G.; Ivanova, A.; Tadjer, A.; Chercka, D. and Baumgarten, M. (2016): Understanding the fluorescence of light-emitting dyes. The Journal of Physical Chemistry А, 120, 6944-6955
  28. Zahariev, T. K.; Tadjer, A. V. and Ivanova, A. N. (2016): Transfer of non-ionic surfactants across the water-oil interface: a molecular dynamics study. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 506, 20-31
  29. Kolev, V. L.; Ivanova, A. N.; Madjarova, G. K.; Aserin, A. and Garti, N. (2016): Unit cell structure of water‑filled monoolein in inverted hexagonal mesophase in the presence of incorporated tricaprylin and entrapped lysozyme. European Biophysical Journal, 45, 99-112
  30. Mustan, F.; Ivanova, A.; Madjarova, G.; Tcholakova, S. and Denkov, N. (2015): Molecular dynamics simulation of the aggregation patterns in aqueous solutions of bile salts at physiological conditions. The Journal of Physical Chemistry B, 119, 15631-15643
  31. Ivanova, N.; Tsoneva, Y.; Ilkova, N. and Ivanova A. (2015): Complex systems for drug transport across cell membranes. Chemistry: Bulgarian Journal of Science Education, 24, 825-848
  32. Захариев, Цв. и Иванова, А. (2015): Методи за изчисляване на свободна енергия чрез молекулно моделиране: теория и приложения. Българско списание за химия, 4, 43-69
  33. Гочева, Г. и Иванова, А. (2015) Комбиниран изчислителен протокол за пресмятане на ЯМР химични отмествания на аминокиселини. Българско списание за химия, 4, 15-22
  34. Tsoneva, Y.; Jonker, H. R. A.; Wagner, M.; Tadjer, A.; Lelle, M.; Peneva, K. and Ivanova, A. (2015): Molecular structure and pronounced conformational flexibility of doxorubicin in free and conjugated state within a drug-peptide compound. The Journal of Physical Chemistry B, 119, 3000−3013
  35. Kolev, V. L.; Ivanova, A. N.; Madjarova, G. K.; Aserin, A. and Garti, N. (2014): Unit cell structure of water-filled monoolein into inverted hexagonal (HII) mesophase modeled by molecular dynamics. The Journal of Physical Chemistry B, 118, 5459−5470
  36. Zahariev, T. K.; Slavchov, R. I.; Tadjer, A. V. and Ivanova, A. N. (2014): Fully atomistic molecular-mechanical model of liquid alkane oils: computational validation. Journal of Computational Chemistry, 35, 776–788
  37. Zahariev, T. and Ivanova, A. (2013): Molecular dynamics simulations for oil phase characterization: an atomistic molecular mechanical model. Nanoscience&Nanotechnology – Nanostructured Materials Application and Innovation Transfer 13, 15-19
  38. Valchanov, G.; Ivanova, A.; Tadjer, A.; Chercka, D. and Baumgarten, M. (2013): Tuning the optical absorption of potential blue emitters. Organic Electronics, 14, 2727-2736
  39. Zahariev, T.; Ivanova, A.; Velinova, M. and Tadjer A. (2013): Structure and aggregation proclivity of C12E3 in aqueous solution. Chemical Physics, 410, 1-8
  40. Ivanova, A.; Romanova, J.; Tadjer, A. and Baumgarten M. (2013): Magnetostructural correlation for rational design of Mn(II) hybrid-spin complexes. The Journal of Physical Chemistry A, 117, 670-678
  41. Petrova, J.; Romanova, J.; Madjarova, G.; Ivanova, A. and Tadjer A. (2012): Absorption spectra of model single chains of conducting polyaniline. The Journal of Physical Chemistry B, 116, 6543-6552
  42. Velinova, M.; Tsoneva, Y.; Ivanova, A. and Tadjer A. (2012): Estimation of the mutual orientation and intermolecular interaction of C12Ex from molecular dynamics simulations. The Journal of Physical Chemistry B, 116, 4879-4888
  43. Kolev, V.; Ivanova, A.; Madjarova, G.; Aserin, A. and Garti, N. (2012): Molecular dynamics approach to water structure of HII mesophase of monoolein. The Journal of Chemical Physics, 136, 074509(1-11)
  44. Velinova, M.; Tsoneva, Y.; Shushkov, Ph.; Ivanova, A. and Tadjer A. (2011): Systematic derivation and testing of AMBER force field parameters for fatty ethers from quantum mechanical calculations. Progress in Theoretical Chemistry and Physics, 22, 461-480
  45. Petrova, J.; Romanova, J.; Madjarova, G.; Ivanova, A. and Tadjer A. (2011): Fully doped oligomers of emeraldine salt – polaronic versus bipolaronic configuration. The Journal of Physical Chemistry B, 115, 3765-3776
  46. Tzvetanov, S.; Shushkov, Ph.; Velinova, M.; Ivanova, A. and Tadjer A. (2010): Molecular dynamics study of the electric and dielectric properties of model DPPC and dicaprin insoluble monolayers – size effect. Langmuir, 26, 8093-8105
  47. Shushkov, Ph.; Tzvetanov, S.; Velinova, M.; Ivanova, A. and Tadjer A. (2010): Structural aspects of lipid monolayers: computer simulation analyses. Langmuir, 26, 8081-8092
  48. Velinova, M.; Georgiev, V.; Todorova, T.; Madjarova, G.; Ivanova, A. and Tadjer A. (2010): Boron-nitrogen- and boron-substituted anthracenes and -phenanthrenes as models for doped carbon-based materials. Journal of Molecular Structure (THEOCHEM), 955, 97-108
  49. Velinova, M.; Madjarova, G.; Ivanova, A. and Tadjer A. (2010): Systematic theoretical study of Li adsorption on BN- and B-doped aromatic hydrocarbons. Journal of Molecular Structure (THEOCHEM), 955, 109-122
  50. Romanova, J.; Petrova, J.; Ivanova, A.; Tadjer, A. and Gospodinova N. (2010): Theoretical study on the emeraldine salt - impact of the computational protocol. Journal of Molecular Structure (THEOCHEM), 954, 36-44
  51. Miteva, T.; Romanova, J.; Ivanova, A.; Tadjer, A. and Baumgarten M. (2010): Theoretical study on the structural aspects of Cu(II) hybrid-spin complexes. European Journal of Inorganic Chemistry, 2010, 379-390
  52. Romanova, J.; Miteva, T.; Ivanova, A.; Tadjer, A. and Baumgarten M. (2009): An in-depth theoretical approach to the design of hybrid-spin systems. Physical Chemistry Chemical Physics 11, 9545-9555
  53. Petrova, J.; Romanova, J.; Madjarova, G.; Ivanova, A. and Tadjer A. (2009): Influence of the level of protonation on the geometry and the electronic structure of emeraldine oligomers. Progress in Theoretical Chemistry and Physics, 20, 219-251
  54. Vladimirov, E.; Ivanova, A. N. and Rösch N. (2009): Solvent reorganization energies in A-DNA, B-DNA, and Rhodamine 6G–DNA complexes from molecular dynamics simulations with a polarizable force field. The Journal of Physical Chemistry B 113, 4425-4434
  55. Vladimirov, E.; Ivanova, A. N. and Rösch N. (2008): Effect of solvent polarization on the reorganization energy of electron transfer from molecular dynamics simulations. The Journal of Chemical Physics 129, 194515
  56. Ivanova, A.; Shushkov, P. and Rösch N. (2008): Systematic study of the influence of base-step parameters on the electronic coupling between base-pair dimers: comparison of A-DNA and B-DNA forms. The Journal of Physical Chemistry A 112, 7106-7114
  57. Shushkov, P. G.; Tzvetanov, S.A.; Ivanova, A. N. and Tadjer A. V. (2008): Dielectric properties tangential to the interface in model insoluble monolayers – theoretical assessment. Langmuir 24, 4615-4624
  58. Ivanova, A.; Jezierski, G. and Rösch N. (2008): Electronic coupling between base pair dimers of LNA:DNA oligomers. Physical Chemistry Chemical Physics 10, 414-421
  59. Ivanova, A.; Jezierski, G.; Vladimirov E. and Rösch N. (2007): Structure of rhodamine 6G-DNA complexes from molecular dynamics simulations. Biomacromolecules 8, 3429-3438
  60. Ivanova, A. and Rösch N. (2007): The structure of LNA:DNA hybrids from molecular dynamics simulations: the effect of locked nucleotides. The Journal of Physical Chemistry A 111, 9307-9319
  61. Gospodinova, N.; Dorey, S.; Ivanova, A.; Zhekova, H. and Tadjer A. (2007): Evidence for generation of delocalized polarons in conducting polyaniline: a raman scattering spectroscopy approach. International Journal of Polymer Analysis and Characterization 12, 251-271
  62. Tadjer, A.; Ivanova, A.; Velkov, Y.; Tzvetanov, S.; Gotsev, M. and Radoev, B. (2007): Exploratory study of dielectric properties of insoluble monolayers: molecular models. International Journal of Quantum Chemistry 107, 1719-1735
  63. Zhekova, H.; Tadjer, A.; Ivanova, A.; Petrova, J. and Gospodinova N. (2007): Theoretical study on the structure and electronic spectra of fully protonated emeraldine oligomers. International Journal of Quantum Chemistry 107, 1788-1806
  64. Ivanova, A.; Tadjer, A. and Gospodinova N. (2006): Theoretical study of the influence of monomer excess on the structure and properties of polyaniline oligomers. The Journal of Physical Chemistry B 110, 2555-2564
  65. Ivanova, A.; Madjarova, G.; Tadjer, A. and Gospodinova, N. (2006): Effect of solvation and intermolecular interactions on the structure and optical properties of PANI oligomers. International Journal of Quantum Chemistry 106, 1383-1395
  66. Ivanova, A.; Tadjer, A.; Tyutyulkov, N. and Radoev, B. (2005): Hydrophilic interactions between organic and water molecules as models for monolayers at the gas/water interface. The Journal of Physical Chemistry A 109, 1692-1702
  67. Rajadurai, Ch.; Ivanova, A.; Enkelmann, V. and Baumgarten, M. (2003): Study on the heteroatom influence in pyridine-based nitronyl nitroxide biradicals with phenylethynyl spacers on the molecular ground state. The Journal of Organic Chemistry 68, 9907-9915
  68. Ivanova, A.; Baumgarten, M.; Karabunarliev, S. and Tyutyulkov, N. (2003): Design of ferromagnetic alternating stacks of neutral and ion-radical hydrocarbons. Physical Chemistry Chemical Physics 5, 4932-4937
  69. Tyuytulkov, N.; Ivanova, A. and Dietz, F. (2003): Magnetic properties of Langmuir-Blodgett films – a theoretical study. II. Langmuir films of polymethine radicals. Chemical Physics 287, 71-82
  70. Tyuytulkov, N.; Muellen, K.; Baumgarten, M.; Ivanova, A. and Tadjer, A. (2003): Is 2-D graphite an ultimate large hydrocarbon? III. Structure and energy spectra of large polybenzenoid hydrocarbons with different edge structures. Synthetic Metals 139, 99-107
  71. Zoppellaro, G.; Ivanova, A.; Geies, A.; Enkelmann, V. and Baumgarten, M. (2003): Synthesis, magnetic properties and theoretical calculations of novel nitronyl nitroxide and imino nitroxide diradicals grafted on a terpyridine moiety. Polyhedron 22, 2099-2110
  72. Ivanova, A.; Baumgarten, M.; Karabunarliev, S. and Tyutyulkov, N. (2002): Alternating stacks of neutral and ion-radical hydrocarbons. A feasible path to ferromagnetic materials?. Physical Chemistry Chemical Physics 4, 4795-4801
  73. Ivanova, A.; Tadjer, A.; Radoev, B. and Panayotov, I. (2002): A theoretical study of model lipid monolayers. SAR and QSAR in Environmental Research 13, 237-241
  74. Ivanova, A.; Tadjer, A. and Radoev, B. (2002): Theoretical study of insoluble polymer monolayers. International Journal of Quantum Chemistry 89, 397
  75. Tyutyulkov, N.; Ivanova, A.; Tadjer, A.; Muellen, K. and Baumgarten, M. (2001): Structure and energy spectra of large polybenzenoid hydrocarbons with different edge structures. Bulgarian Chemistry and Industry 72, 110-116
  76. Velkov, J.; Tadjer, A.; Ivanova, A. and Sidzhakova, D. (2001): Synthesis, identification and structure of 3-amino-4-carboxamido-2-phenyl-pyrazole and its thioamide analogue. Annuaire de l’Universite de Sofia 91, 203-214
  77. Tyutyulkov, N.; Ivanova, A.; Dietz, F. and Muellen, K. (1999): Structure and properties of new classes of coupled polymethine dyes. Dyes and Pigments 42, 215-222

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Савина Кирилова

03/21/2015 12:05 am


Last modified: 04/08/2023 08:39 pm

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