Antonova M.M., Karshieva S.S., Nikitin A.A., Malinovskaya Y.A., Ermolin D.V., Novikov A.S., Skorb E., Beigulenko D.V., Kovshova T.S., Kalacheva E.A., Filin A.A., Gelperina S.E., Ermolenko Y.V. Colloidal formulations of etoposide based on self-assembling oleyl-hyaluronan-based structures: Optimization of technology and in vitro analysis. Nano-Structures and Nano-Objects. 2025. Vol. 41. pp. 101443.. doi: 10.1016/j.nanoso.2025.101443
Timofeeva M., Kenzhebayeva Y., Alekseevskiy P., Efimova A., Abramov A., Shipilovskikh S., Novikov A.S., Somov N.V., Pavlov D.I., Yu X., Potapov A.S., Boulet P., Burzak N., Knyazeva A.R., Li N., Dyachuk V., Milichko V.A. Topological Design of Pyrene-Based Metal-Organic Framework Nanosheets as a Luminescent Thermometer for Live Bioimaging. Advanced Functional Materials. 2025. Vol. 35. No. 36. pp. 2425904.. doi: 10.1002/adfm.202425904
Normatov S., Nesterov P., Demekhin M.A., Novikov A.S., Skorb E.V. Azide–alkyne cycloaddition catalyzed by Cu(I), Ag(I), and Au(I) complexes and the influence of the deuterium isotope: DFT-based computational insights. New Journal of Chemistry. 2025. Vol. 49. No. 23. pp. 9884-9889.. doi: 10.1039/D5NJ01372K
Obijiofor O., Novikov A.S. Exploring the role of density functional theory in the design of gold nanoparticles for targeted drug delivery: a systematic review. Journal of Molecular Modeling. 2025. Vol. 31. No. 7. pp. 186.. doi: 10.1007/s00894-025-06405-9
Karalash S.A., Botnar A.A., Aglikov A.S., Muraveva E.A., Kozodaev D.A., Novikov A.S., Skorb E.V., Muravev A.A. AFM and DFT study of diverse self-organization pattern of aminothiacalix[4]arene. Journal of Inclusion Phenomena and Macrocyclic Chemistry. 2025. Vol. 105. No. 3-4. pp. 133–140.. doi: 10.1007/s10847-025-01285-1
Kornilov D.A., Novikov A.S., Nagrimanov R.N., Mustafin A.G. Modification of the High-Pressure Cell in the Hildebrand’s Device to Determine the Thermal Pressure Coefficients of Liquids: Search for Correlations between Thermal Pressure Coefficients and Various Physicochemical Parameters. Journal of Chemical and Engineering Data. 2025. Vol. 70. No. 3. pp. 1208–1214.. doi: 10.1021/acs.jced.4c00584
Zhou H., Shao Z., Ermolin D.V., Novikov A.S., Skorb E.V., Cheng R., Shchukin D.G., Wang H. Environmentally responsive semi-interpenetrating network microcapsules with enhanced stability for corrosion protection. Materials Horizons. 2025. pp. in press.. doi: 10.1039/D5MH00679A
Muravev A.A., Skorb E.V., Nebalueva A.S., Ermolin D.V., Meshkov A., Pantyukhin I.S., Zenkin A.M., Dergacheva A.P., Novikov A.S., Nikolaev A.A., Vahrushev B.S., Semenov A.V., Andreeva D.V. Smart coacervate catalysis: robotic optimization of Knoevenagel reaction networks. не указано. 2025. Vol. не указан. No. не указан. pp. не указаны.
Timofeeva M., Kenzhebayeva Y., Burzak N., Bazhenova A., Lunev A., Novikov A.S., Bondarenko A.B., Shipilovskikh S.A., Dyachuk V.A., Milichko V.A. A light-driven ultrafast sensor based on biocompatible solvatochromic metal-organic frameworks. Materials Horizons. 2025. Vol. 12. No. 4. pp. 1255-1261.. doi: 10.1039/D4MH01264J
Chetinel I., Botnar A.A., Novikov A.S., Muraveva E.A., Ireddy A.T., Zun P.S., Соловьева С.Е., Антипин И., Skorb E.V., Muravev A.A. Control of Self-Organization of Thiacalix[4]Crown-Ethers in Cone and 1,3-Alternate Forms in Nanofilms on Quartz Substrate. Colloid Journal. 2025. Vol. 87. No. 2. pp. 236-245.. doi: 10.1134/S1061933X25600083
Timralieva A.A., Chumakova N., Fionov A.V., Konstantinova E.A., Zaripov R.B., Demekhin M.A., Radchenko M.E., Novikov A.S., Travin S.O., Kokorin A.I., Skorb E.V. Barbituric acid derivative supramolecular assembly as a matrix for oxygen-sensitive photodriven formation of superoxide and carbon-centered radicals. Chemical Physics Letters. 2025. Vol. 868. pp. 141957.. doi: 10.1016/j.cplett.2025.141957
Tamer T.M., Hassan M., Eltantawy M.M., Brussevich A., Nebalueva A., Volkova O., Novikov A., Moskalenko I., Shityakov S., Abu-Serie M.M., Ulasevich S., Skorb E.V. Synthesis and characterization of functionalized chitosan coupled with phenolic aldehyde to thwart antibiotics-resistant bacteria with antioxidant and anti-inflammatory properties: In vitro evaluations and computational investigations. International Journal of Biological Macromolecules. 2025. Vol. 322. No. Part 4. pp. 146697.. doi: 10.1016/j.ijbiomac.2025.146697
Четинел И., Ботнарь А.А., Новиков А.С., Муравьева Е.А., Иредди А., Зун П.С., Соловьева С.Е., Антипин И.С., Скорб Е.В., Муравьев А.А. Контроль самоорганизации тиакаликс[4]краун-эфиров в формах конус и 1,3-альтернат в нанопленках на кварцевой подложке. Коллоидный журнал. 2025. Т. 87. № 2. С. 149-160.. doi: 10.31857/S0023291225020076
Korepanov O., Aleksandrova O., Botnar A., Firsov D., Kalazhokov Z., Kirilenko D., Lemeshko O., Matveev V., Mazing D., Moskalenko I., Novikov A., Ulasevich S., Moshnikov V. Polyvinylpyrrolidone-Capped CuInS2 Colloidal Quantum Dots: Synthesis, Optical and Structural Assessment. Colloids and Interfaces. 2025. Vol. 9. No. 3. pp. 33.. doi: 10.3390/colloids9030033
Ashikhmina M.S., Nesterov P., Filozop V.S., Volodarskiy M.O., Orlova O.Y., Nosonovsky M., Novikov A.S., Skorb E.V. DFT-based evaluation of cryoprotectants and their role in lyophilization success. Cryobiology. 2025. Vol. 120. pp. 105282.. doi: 10.1016/j.cryobiol.2025.105282
Normatov S., Nesterov P., Aliev T., Timralieva A.A., Novikov A.S., Skorb E.V. Search for Correlations Between the Results of the Density Functional Theory and Hartree–Fock Calculations Using Neural Networks and Classical Machine Learning Algorithms. ACS Omega. 2025. Vol. 10. No. 6. pp. 5919–5933.. doi: 10.1021/acsomega.4c09861
Practice-Oriented Introduction to Machine Learning : Linear Regression, Decision Tree, and Single Layer Perceptron models
Botnar A.A., Novikov O.P., Korepanov O.A., Muraveva E.A., Kozodaev D.A., Novikov A.S., Nosonovsky M., Skorb E.V., Muravev A.A. Crystallization Control of Anionic Thiacalixarenes on Silicon Surface Coated with Cationic Poly(ethyleneimine). Langmuir. 2024. Vol. 40. No. 46. pp. 24634-24643.. doi: 10.1021/acs.langmuir.4c03488
Gorab F., Aglikov A., Novikov A.S., Nosonovsky M., Ryltseva G., Dudaev A., Menzianova N., Skorb E.V., Shishatskaya E.I. Topography hierarchy of biocompatible polyhydroxyalkanoate film. RSC Advances. 2024. Vol. 14. No. 27. pp. 19603-19611.. doi: 10.1039/d4ra03398a
Gorab F., Novikov A.S., Nesterov P., Ryltseva G.A., Dudaev A.E., Shishatskaya E.I., Skorb E.V. Insight on relationship between crystallinity and band gap energies of polyhydroxyalkanoates polymers. Materials Today Communications. 2024. Vol. 39. pp. 108886.. doi: 10.1016/j.mtcomm.2024.108886
Применение программных пакетов Avogadro, ORCA, Putty, WinSCP и CREST для выполнения квантово-химических расчётов
Klyukin I.N., Kolbunova A.V., Novikov A.S., Zhizhin K.Y., Kuznetsov N.T. Theoretical investigation of CB5H6(Hfac) and CB5H5(H2) carboranes: combined MO and QTAIM analysis. Computational and Theoretical Chemistry. 2024. Vol. 1231. pp. 114434.. doi: 10.1016/j.comptc.2023.114434
Novikov A.S. Non-Covalent Interactions in Polymers. Polymers. 2023. Vol. 15. No. 5. pp. 1139.. doi: 10.3390/polym15051139
Novikov A.S. Non-Covalent Catalysts. Catalysts. 2023. Vol. 13. No. 2. pp. 339.. doi: 10.3390/catal13020339
Aliev T., Belyaev V.E., Pomytkina A.V., Nesterov P., Shityakov S., Sadovnichii R., Novikov A.S., Orlova O.Y., Masalovich M.S., Skorb E.V. Electrochemical Sensor to Detect Antibiotics in Milk Based on Machine Learning Algorithms. ACS Applied Materials and Interfaces. 2023. Vol. 15. No. 44. pp. 52010-52020.. doi: 10.1021/acsami.3c12050
Tamer T.M., Eltantawy M.M., Brussevich A., Nebalueva A., Novikov A., Moskalenko I.V., Abu-Serie M.M., Hassan M., Ulasevich S., Skorb E.V. Functionalization of chitosan with poly aromatic hydroxyl molecules for improving its antibacterial and antioxidant properties: Practical and theoretical studies. International Journal of Biological Macromolecules. 2023. Vol. 234. pp. 123687.. doi: 10.1016/j.ijbiomac.2023.123687
Zhestkij N.A., Efimova A.S., Kenzhebayeva Y., Dmitriev M.V., Novikov A.S., Yushina I.D., Krylov A., Timofeeva M.V., Kulakova A.N., Glebova N.V., Krasilin A.A., Shipilovskikh S.A., Milichko V.A. Nonlinear Metal-Organic Framework Crystals for Efficient Multicolor Coherent Optical Emission. Advanced Optical Materials. 2023. Vol. 11. No. 22. pp. 2300881.. doi: 10.1002/adom.202300881
Savintseva L., Avdoshin A., Ignatov S., Novikov A.S. Theoretical Study of Charge Mobility in Crystal Porphine and a Computer Design of a Porphine-Based Semiconductive Discotic Liquid Mesophase. International Journal of Molecular Sciences. 2023. Vol. 24. No. 1. pp. 736.. doi: 10.3390/ijms24010736
Memristive effect in Ti3C2Tx (MXene) – polyelectrolyte multilayers
Moskalenko I.V., Shilovskikh V., Nesterov P., Novikov A.S., Omarova M., Sadovnichii R., Gurzhiy V.V., Orekhov N., Skorb E.V. Supramolecular Assemblies of Melamine-2-Thiobarbiturate and Melamine-Barbiturate-2-Thiobarbiturate: Experimental and Theoretical Studies. Crystals. 2023. Vol. 13. No. 9. pp. 1320.. doi: 10.3390/cryst13091302
Moskalenko I., Borodin L.I., Novikov A.S. Oxidation of Methyl Linoleate in Triton X-100 Micelles Initiated by Lipid-soluble Initiator 2,2?-Azobis (2,4-dimethylvaleronitrile). ChemistrySelect. 2023. Vol. 8. No. 25. pp. e202301357.. doi: 10.1002/slct.202301357
Novikov A.S. Symmetry in Quantum and Computational Chemistry: Volume 2. Symmetry. 2023. Vol. 15. No. 8. pp. 1472.. doi: 10.3390/sym15081472
Klyukin I.N., Kolbunova A.V., Novikov A.S., Zhdanov A.P., Zhizhin K.Y., Kuznetsov N.T. Theoretical Insight on the Formation Mechanism of a Trisubstituted Derivative of Closo-Decaborate Anion [B10H7O2CCH3(NCCH3)]0. Inorganics. 2023. Vol. 11. No. 5. pp. 201.. doi: 10.3390/inorganics11050201
Timralieva A.A., Moskalenko I.V., Nesterov P., Shilovskikh V.V., Novikov A.S., Konstantinova E.A., Kokorin A.I., Skorb E.V. Melamine Barbiturate as a Light-Induced Nanostructured Supramolecular Material for a Bioinspired Oxygen and Organic Radical Trap and Stabilization. ACS Omega. 2023. Vol. 8. No. 9. pp. 8276–8284.. doi: 10.1021/acsomega.2c06510
Aglikov A., Volkova O., Bondar A., Moskalenko I., Novikov A., Skorb E.V., Smirnov E. Memristive Effect in Ti3C2Tx (MXene) Polyelectrolyte Multilayers. ChemPhysChem. 2023. Vol. 24. No. 17. pp. e202300187.. doi: 10.1002/cphc.202300187
Nebalueva A.S., Timralieva A.A., Sadovnichii R., Novikov A.S., Zhukov M.V., Aglikov A.S., Muravev A.A., Sviridova T.V., Boyarskiy V.P., Kholkin A.L., Skorb E.V. Piezo-Responsive Hydrogen-Bonded Frameworks Based on Vanillin-Barbiturate Conjugates. Molecules. 2022. Vol. 27. No. 17. pp. 5659.. doi: 10.3390/molecules27175659
Novikov A.S. Plethora of Non-Covalent Interactions in Coordination and Organometallic Chemistry Are Modern Smart Tool for Materials Science, Catalysis, and Drugs Design. International Journal of Molecular Sciences. 2022. Vol. 23. No. 23. pp. 14767.. doi: 10.3390/ijms232314767
Lorits E.M., Gubar E.A., Novikov A.S. Design of the Algorithm for Packaging of Water Molecules in a Fixed Volume. Symmetry. 2022. Vol. 14. No. 11. pp. 2453.. doi: 10.3390/sym14112453
Novikov A.S. Theoretical Investigation on Non-Covalent Interactions. Crystals. 2022. Vol. 12. No. 2. pp. 167.. doi: 10.3390/cryst12020167
Masalovich M., Aliev T., Beliaev V.E., Pomytkina A.V., Nesterov P., Shityakov S., Sadovnichii R., Novikov A., Orlova O., Skorb E. The development of an electrochemical sensor for antibiotics in milk based on machine learning algorithms. arXiv.org [база препринтов]. 2022. Vol. arXiv:2212.04422. No. 0. pp. 1-38.. doi: https://doi.org/10.48550/arXiv.2212.04422
Novikov A.S. Theoretical Studies and Computer Modeling of Supramolecular Chemical Systems: Structure, Properties and Reactivity. Chemistry Proceedings. 2022. Vol. 12. No. 1. pp. 88.. doi: 10.3390/ecsoc-26-13717
Novikov A.S., Bolotin D.S. Halonium, chalconium, and pnictonium salts as noncovalent organocatalysts: a computational study on relative catalytic activity. Organic and Biomolecular Chemistry. 2022. Vol. 20. No. 38. pp. 7632–7639.. doi: 10.1039/d2ob01415g
Novikov A.S. IsoStar Program Suite for Studies of Noncovalent Interactions in Crystals of Chemical Compounds. Crystals. 2021. Vol. 11. No. 2. pp. 162.. doi: 10.3390/cryst11020162
Imoro N., Shilovskikh V., Nesterov P., Timralieva A.A., Gets D.S., Nebalueva A.S., Lavrentev F., Novikov A.S., Kondratyuk N.D., Orekhov N.D., Skorb E.V. Biocompatible pH-Degradable Functional Capsules Based on Melamine Cyanurate Self-Assembly. ACS Omega. 2021. Vol. 6. No. 27. pp. 17267–17275.. doi: 10.1021/acsomega.1c01124
Nikitina A.A., Milichko V.A., Novikov A.S., Larin A.O., Nandy P., Mirsaidov U., Andreeva D.V., Rybin M.V., Kivshar Y.S., Skorb E.V. All-Dielectric Nanostructures with a Thermoresponsible Dynamic Polymer Shell. Angewandte Chemie - International Edition. 2021. Vol. 60. No. 23. pp. 12737-12741.. doi: 10.1002/anie.202101188
Nesterov P.V., Shilovskikh V.V., Sokolov A., Gurzhiy V.V., Novikov A.S., Timralieva A.A., Belogub E.V., Kondratyuk N., Orekhov N., Skorb E.V. Encapsulation of Rhodamine 6G Dye Molecules for Affecting Symmetry of Supramolecular Crystals of Melamine-Barbiturate. Symmetry. 2021. Vol. 13. No. 7. pp. 1119.. doi: 10.3390/sym13071119
Malyshkina M.V., Novikov A.S. Modern Software for Computer Modeling in Quantum Chemistry and Molecular Dynamics. Compounds. 2021. Vol. 1. No. 3. pp. 134–144.. doi: 10.3390/compounds1030012
Thermoresponible macromolecular nanostructures with dynamic properties based on Si nanoparticles
Ivanov A.S., Nikolaev K.G., Novikov A.S., Yurchenko S.O., Novoselov K.S., Andreeva D.V., Skorb E.V. Programmable Soft-Matter Electronics. Journal of Physical Chemistry Letters. 2021. Vol. 12. No. 7. pp. 2017-2022.. doi: 10.1021/acs.jpclett.1c00007
Novikov A.S. Symmetry in quantum and computational chemistry. Symmetry. 2020. Vol. 12. No. 12. pp. 2028.. doi: 10.3390/sym12122028
Skorb E.V., Shilovskikh V.V., Timralieva A.A., Nesterov P.V., Novikov A.S., Sitnikov P.A., Konstantinova E.A., Kokorin A.I. Melamine-barbiturate supramolecular assembly as a pH-dependent organic radical trap material. Chemistry - A European Journal. 2020. Vol. 26. No. 70. pp. 16603-16610.. doi: 10.1002/chem.202002947
Novikov A.S. Computational Insights into Industrial Chemistry. Computation. 2020. Vol. 8. No. 4. pp. 97.. doi: 10.3390/computation8040097