Научные публикации

  1. Brief guide to the nomenclature of organic chemistry (IUPAC Technical Report), Pure and Applied Chemistry, https://doi.org/10.1515/pac-2019-0104
  2. Nomenclature for boranes and related species (IUPAC Recommendations 2019), Pure and Applied Chemistry, https://doi.org/10.1515/pac-2018-0205
  3. The past, present, and future in the nomenclature and structure representation of inorganic compounds, Dalton Transactions, https://doi.org/10.1039/C9DT00352E
  4. Algorithmic Analysis of Cahn–Ingold–Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine Implementation, Journal of Chemical Information and Modeling, https://doi.org/10.1021/acs.jcim.8b00324
  5. Brief guide to the nomenclature of inorganic chemistry, Pure and Applied Chemistry, https://doi.org/10.1515/pac-2014-0718
  6. InChIKey collision resistance: an experimental testing, Journal of Cheminformatics, https://doi.org/10.1186/1758-2946-4-39
  7. Terminology and Nomenclature for Macromolecular Rotaxanes and Pseudorotaxanes (IUPAC Recommendations 2012), Pure and Applied Chemistry, https://doi.org/10.1351/pac-rec-11-10-15
  8. Nomenclature for Rotaxanes and Pseudorotaxanes (IUPAC Recommendations 2008), Pure and Applied Chemistry, https://doi.org/10.1351/pac200880092041
  9. Elyashberg, M.E.; Blinov, K.A.; Martirosian E.R.
    A New Approach To The Computer-Aided Molecular Structure Elucidation: Expert System STRUCTURE ELUCIDATOR.
    Lab. Automat. Inf. Manag., 34, N 1, 15-30 (1999)
  10. Blinov, K.A.; Elyashberg, M.E.; Molodtsov, S.G.; Williams, A.J., Martirosian, E.
    An expert system for automated structure elucidation utilizing 1H-1H, 13C-1H and 15N-1H 2D NMR correlations
    Fresenius J. Anal. Chem., 369, 709-714 (2001)
  11. Elyashberg, M.; Blinov, K.; Williams, A.J.; Molodtsov, S.; Martirosian, E.
    Application of a New Expert System for the Structure Elucidation of Natural Products from 1D and 2D NMR Data.
    Nat. Prod. 65, 693-703 (2002)
  12. Martin, G. E.; Hadden, B. D.; Russell, C. E.; Kaluzny, D. J.;  Guido, J.E.; Duholke, W.K; Stiemsma, B. A.; Thamann, T. J.; Crouch, R. C.; Blinov, K. A.; Elyashberg, M. E.; Martirosian, E. R.; Molodtsov, S.G.; Williams, A. J.; Schiff, P. L. Jr.
    Identification of Degradants of a Complex Alkaloid Using NMR Cryoprobe Technology and ACD/Structure Elucidator.
    Het. Chem., 39, 1241-1250 (2002).
  13. Blinov, K. A.; Carlson, D.; Elyashberg, M. E.; Martin G. E.; Martirosian, E. R.; Molodtsov, S. G.; Williams. A. J.
    Computer Assisted Structure Elucidation of Natural Products with Limited Data: Application of the StrucEluc System.
    Magn Reson. Chem.; 41, 359-372 4 (2003).
  14. Blinov, K.A.; Elyashberg, M.E.; Martirosian, E.R.; Molodtsov, S.G.; Williams, A. J.; Sharaf, M. M. H.; Schiff, P. L. Jr.; Crouch, R.C.; Martin, G. E.; Hadden, C.E.; Guido J.E.; Mills, K.A.
    Quindolinocryptotackieine: the Elucidation of a Novel Indoloquinoline Alkaloid Structure Through the Use of Computer-Assisted Structure Elucidation and 2D NMR.
    Magn. Reson. Chem., 41, 577-584 (2003) 
  15. Sharman, G.J.; Jones I.C.; Parnell, M.J.; Willis, M.; Carlson, D.V.; Williams, A.J; Elyashberg, M.E. ; Blinov, K.A. and Molodtsov, S.G.
    Automated Structure Elucidation of Two Unexpected Reaction Products in a Reaction of an a,b-Unsaturated Pyruvate.
    Magn. Reson. Chem. 42, No7, 567-572 (2004)
  16. Elyashberg, M. E.; Blinov, K.A.; Martirosian, E. R.; Molodtsov, S.G.; Williams, A.J.; Martin, G.E.
    Automated Natural Product Structure Elucidation – the Benefits of a Symbiotic Relationship between the Spectroscopist and the Expert System.
    Heterocyclic Chem. 40, 1017-1029 (2003)
  17. Elyashberg, M. E.; Blinov, K. A.; Molodtsov, S. G; Williams, A. J.; Martin, G. E.
    Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments.
    Chem. Inf. Comput. Sci. 44, 771-792 (2004)
  18. Molodtsov, S.G.; Elyashberg, M.E.; Blinov, K.A., Williams, A.J.; Martin G.M., Lefebvre, B.
    Structure Elucidation from 2D NMR Spectra Using the StrucEluc Expert System: Detection and Removal of Contradictions in the Data.
    Chem. Inf. Comput. Sci. 44, 1737-1751 (2004)
  19. G. E. Martin, D.J. Russell, K.A. Blinov, M.E. Elyashberg, A.J. Williams.
    Applications and Advances in Cryogenic NMR Probes and Computer-Assisted Structure Elucidation.
    Annual Reports on Nuclear Magnetic Resonance,
    Ann. Magn. Reson. Vol. 1, Nos 1 and 2, 1-31, 2003
  20. March 2004
    «A review of structures which have been elucidated to date using ACD/Structure Elucidator»
    Mikhail Elyashberg, Kirill Blinov and Antony Williams
    Read the abstract or download the publication in MS Word (137 kb ZIP file) or Adobe Acrobat format (453 kb PDF file).
  21. Yegor D. Smurnyy, Michail E. Elyashberg, Kirill A. Blinov, Brent Lefebvre, Gary E. Martin, Antony J. Williams
    Computer-aided determination of relative stereochemistry and 3D models of complex organic molecules from 2D NMR spectra.
    Tetrahedron, Vol 61/42  (2005) pp 9980-9989
  22. Mikhail E. Elyashberg, Kirill A. Blinov, Antony J. Williams, Sergey G. Molodtsov, Gary E. Martin.
     Are deterministic expert systems for computer assisted structure elucidation obsolete?
    Chem. Inform. Model , 2006, 46, 1643-1656
  23. Mikhail E. Elyashberg, Kirill A. Blinov, Antony J. Williams, Sergey G. Molodtsov,  Gary E. Martin.
    Fuzzy Structure Generation: A New Efficient Tool for Computer-Aided Structure Elucidation (CASE).
     Chem. Inform. Model , 2007, 47, 1053-1066
  24. М. Е. Эляшберг, К. А. Блинов, С. Г. Молодцов, Е .Д. Смурный
    Новые компьютерные методы установления структуры молекул по двумерным ЯМР спектрам.
    Ж. Аналит. Хим. 2008, Т. 63, №1, С. 18-26
  25.  M. E. Elyashberg,  K. A. Blinov,  S. G. Molodtsov and E. D. Smurnyi
    New Computer-Assisted Methods for the Elucidation of Molecular Structure from 2-D Spectra
     Anal. Chem., 2008, Vol. 63, No. 1, pp. 13–20.
  26. M. E. Elyashberg, A.J. Williams, G. E. Martin
    Computer-assisted Structure Verification and Elucidation Tools In NMR-Based Structure Elucidation .
    Progress in NMR spectroscopy,  Vol 53, issues 1/2,  2008, 1-104
  27. Williams, A. J.; Elyashberg, M. E.; Blinov, K. A.; Lankin, D.C.; Martin, G. E.; Reynolds, W.F.; Porco J.A. Jr; Singleton, C.A.; Su, S.
    Applying computer assisted structure elucidation algorithms for the purpose of structure validation – revisiting the NMR assignments of hexacyclinol.
    Nat. Prod. 2008, 71, 581–588
  28. 19 Y. D. Smurnyy, K.A. Blinov, M. E. Elyashberg, T.S. Churanova, A. J. Williams
    Toward More Reliable 13C And 1H Chemical Shift Prediction: Systematic Comparison Of Neural Network And Least Squares Regression Based Approaches.
    Chem. Informat. Model. 2008, 48, 128-134
  29. K.A. Blinov, Y.D. Smurnyy, M.E. Elyashberg, T.S. Churanova, M. Kvasha,Steinbeck, B.E. Lefebvre, A.J Williams
    The Performance Validation of Neural Network Based 13C NMR Prediction Using a Publicly Available Data Source.
    Chem. Informat. Model. 2008, 48, 550-555
  30. Mikhail Elyashberg, Kirill Blinov, Sergey Molodtsov, Yegor Smurnyy, Antony Williams, Tatiana Churanova.
    “Computer-Assisted Methods for Molecular Structure Elucidation: Realizing Spectroscopist’s Dream.”
    Journal of Cheminformatics 2009, 1:3 doi:10.1186/1758-2946-1-3 
  31. Blinov, K. A.; Smurnyy, Y. D.; Churanova, T.S.; Elyashberg, M. E.; A. J. Williams. Development of a fast and accurate method of NMR chemical shift prediction.
    Chemometr. Intell. Lab. Syst., 2009, 97, 91-97
  32. Elyashberg, M.E.; Blinov, K.; Williams, A.J.
    A Systematic Approach for the Generation and Verification of Structural Hypotheses.
    Magn. Reson. Chem. 2009, 47, 371-389
  33. Elyashberg, M.E.; Blinov, K.; Williams, A.J.
    The Application of Empirical Methods of 13C NMR Chemical Shift Prediction as a Filter for Determining Possible Relative Stereochemistry
    Magn. Reson. Chem. 2009, 47, 333-341
  34. Elyashberg, M.E.; Blinov, K.; Molodtsov, S.G.; Churanova, T.S.; Williams, A. J.  Application of Computer-aided methods of structure elucidation and revision. Structure revision of lamellarin g.
    ChemSpider J. Chem., 2009, http://www.chemmantis.com/Article.aspx?id=889
  35. M. Elyashberg, K. Blinov, Y. Smurnyy, T. Churanova and A. Williams.
    Empirical and DFT GIAO quantum-mechanical methods of (13)C chemical shifts prediction: competitors or collaborators?
    Magn. Reson. Chem. 2010, 48, 219-229
  36. M. Elyashberg, A. Williams, K.Blinov.
    Structural revisions of natural products by Computer Assisted Structure Elucidation (CASE) Systems.
    Nat. Prod. Rep., 2010, 27(9) , 1296-1328
  37. S.F. Cheatham, M. Kline, R. R. Sasaki, K. A. Blinov, M. E. Elyashberg. S. G. Molodtsov
    Enhanced automated structure elucidation by inclusion of two-bond specific data
    Magn. Reson. Chem. 2010, 48, 571-574
  38. M.E. Elyashberg, A.J. Williams, Blinov K.A. Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation,
    Cambridge, RSC Publishing, 2012, 482 p.
    http://pubs.rsc.org/en/Content/eBook/978-1-84973-432-5
  39. M.E. Elyashberg, K.A. Blinov, S.G. Molodtsov, A.J. Williams.
    Elucidating «Undecipherable» Chemical Structures Using Computer Assisted Structure Elucidation Approaches,
    Magn. Reson. Chem., 2012, 50, 22-27
  40. A. Moser, M. Elyashberg, A.J Williams, K.A. Blinov, J. DiMartino
    Blind trials of Computer-Assisted Structure Elucidation software Cheminform.2012,4:5 doi:10.1186/1758-2946-4-5
  41. Hanssen, K. O.; Schuler, B.; Williams, A. J.; Demissie, T. B.; Hansen, E.; Andersen, J. H.; Svenson, J.; Blinov, K.; Repisky, M.; Mohn, F.; Meyer, G.; Svendsen, J. S.; Ruud, K.; Elyashberg, M.; Gross, L.; Jaspars, M.; Isaksson, J.,
    A combined atomic force microscopy and computational approach for the structural elucidation of breitfussin A and B: highly modified halogenated dipeptides from Thuiaria breitfussi.
    Angew. Chem. Int. Ed. 2012, 51, (49), 12238-41.
  42. B. Averina, Y.V. Samoilichenko, Y.A. Volkova, Y.K. Grishin, V.B. Rybakov, A.G. Kutateladze, M.E. Elyashberg, T.S. Kuznetsova, N. S. Zefirov
     Heterocyclization of electrophilic alkenes with tetranitromethane revisited: regiochemistry and the mechanism of nitroisoxazole formation.
    Tetrahedron Letters, 53 (12), 2012, 1472–1475
  43. Elyashberg, M.; Blinov, K.; Molodtsov, S.; Williams, A.J.
    Structure Revision of Asperjinone Using Computer-Assisted    Structure Elucidation Methods.
     Nat. Prod. 2013, 2013, 76, 113−116
  44. В.И.Баранов, Л.А.Грибов, М.Е.Эляшберг.
    Структурная изомеризация и эволюция молекулярного мира на ранних стадиях образования вселенной.
    Геохимия. 2013, 51, №3, 256-261
  45. V. I. Baranov, L. A. Gribov, and M. E. Elyashberg
    Structural Isomerization and the Evolution of the Molecular World during the Early Universe Evolution.
    Geochemistry International, 2013, Vol. 51, No. 3, pp. 231–236.
  46. M.E. Elyashberg, A.J. Williams.
    Computer-based Structure Elucidation from Spectral Data. The Art of Solving Problems.
    Springer, Heidelberg, 2015, 454 p.
    http://www.springer.com/978-3-662-46401-4
    http://www.springer.com/gp/book/9783662464014
  47. M. Elyashberg.
    Identification and Structure Elucidation by NMR Spectroscopy.
    Trends in Anal. Chem., 2015, 69, Special Issue, 88-97 (Review).
  48. M.E. Elyashberg, A.J. Williams, Blinov K.A.
    Application of Computer Assisted Structure Elucidation (CASE) Methods and NMR Prediction to Natural Products.
    In: Modern NMR Approaches to the Structure Elucidation of Natural Products,  V 1: Instrumentation and Software. A. Williams, G. Martin, D. Rovnyak Eds., RSC, Cambridge,  2015, 1, 187-242, DOI: 10.1039/9781849735186-00187
  49. A. V. Buevich, M. E. Elyashberg.
    Synergistic combination of CASE algorithms and DFT chemical shift predictions: a powerful approach for structure elucidation, verification and revision.
    Nat. Prod., 2016, 79 (12), pp 3105–3116
  50. P. Wheeler, S. Hayward, M. Elyashberg.
    Computer-Assisted Structure Elucidation in Routine Analysis.
    American Laboratory, Posted: January 26, 2016
    http://www.americanlaboratory.com/914-Application-Notes/182492-Computer-Assisted-Structure-Elucidation-in-Routine-Analysis/
  51. G. A. Pullella, D. A. Wild, G. L. Nealon, M. Elyashberg, M.J. Piggott. What Is the Structure of the Antitubercular Natural Product Eucapsitrione?
    Org. Chem. 2017,  82(14), pp 7287–7299, DOI: 10.1021/acs.joc.7b00863
  52. A.V. Buevich, M. E. Elyashberg.
    Towards unbiased and more versatile NMR-based structure elucidation: A powerful combination of CASE algorithms and DFT calculations.
    Magn. Reson. Chem., 2018, 56, 493–504., DOI: 10.1002/mrc.4645
  53. M. Pupier, J.‐M. Nuzillard, J. Wist, N. E. Schlörer, S. Kuhn, M. Erdelyi, C. Steinbeck, A.J. Williams,C. Butts, T.D.W. Claridge, B. Mikhova, W. Robien, H. Dashti, H.R. Eghbalnia, C. Farès, C. Adam, P. Kessler, F. Moriaud, M. Elyashberg, D. Argyropoulos, M. Pérez, P.Giraudeau, R. R. Gil, P. Trevorrow, D. Jeannerat.
    NMReDATA, a standard to report the NMR assignment and parameters of organic compounds.
    Magn Reson Chem. 2018, 56, 1–13. DOI: 10.1002/mrc.4737
  54. M. Elyashberg, D. Argyropoulos.
    NMR-based Computer-assisted Structure Elucidation (CASE) of Small Organic Molecules in Solution: Recent Advances.
    eMagRes, 2019, Vol 8, Issue 3,  DOI 10.1002/9780470034590.emrstm1618
  55. A.V. Buevich, M.E. Elyashberg.
    Enhancing Computer Assisted Structure Elucidation with DFT analysis of J-couplings.
    Magnetic Resonance in Chemistry,  58(6), 2020, 594-606, DOI: 10.1002/mrc.4996
  56. M. Elyashberg, D. Argyropoulos,
    Computer Assisted Structure Elucidation (CASE): Current and future perspectives,
    Magn. Reson. Chem. 2021, 59(7), 669-690, (FEATURE ARTICLE PERSPECTIVE), https://doi.org/10.1002/mrc.5115
  57. 47  M. Elyashberg, A. Williams.
    ACD/Structure Elucidator: 20 Years in the History of Development.
    Molecules 2021, 26, 6623.                                                                                                        https://doi.org/10.3390/molecules26216623
  58. 48  M. Elyashberg, I. M. Novitskiy, R. Bates, A. G. Kutateladze, C. M. Williams.
    Reassignment of Improbable Natural Products Identified through Chemical Principle Screening.
    European Journal of Organic Chemistry n/a, 2022, e202200572.
    https://doi.org/10.1002/ejoc.202200572
  59. Mikhail Elyashberg,* Andrei G. Kutateladze,* Craig M. Williams* , Roderick W. Bates.*
    Reassignment of the Structure of Janthinolide A.
    Phytochemistry (submitted article)
  60. Andrei G. Kutateladze,*, Roderick W. Bates *, Mikhail Elyashberg *, Craig M. Williams *Structural reassignment of two polyenol natural products.
    Bioorg. Med. Chem. Lett. (submitted article).