doktor Maciej Spiegel

(1) Spiegel, M.; Andruniów, T.; Sroka, Z. Flavones’ and Flavonols’ Antiradical Structure– Activity Relationship—a Quantum Chemical Study. Antioxidants 2020, 9 (6), 461. https://doi.org/10.3390/antiox9060461.

(2) Spiegel, M.; Kapusta, K.; Kołodziejczyk, W.; Saloni, J.; Zbikowska, B.; Hill, G. A.; Sroka, Z. Antioxidant Activity of Selected Phenolic Acids–Ferric Reducing Antioxidant Power Assay and QSAR Analysis of the Structural Features. Molecules 2020, 25 (13), 3088. https://doi.org/10.3390/molecules25133088.

(3) Machalska, E.; Zajac, G.; Wierzba, A. J.; Kapitán, J.; Andruniów, T.; Spiegel, M.; Gryko, D.; Bouř, P.; Baranska, M. Recognition of the True and False Resonance Raman Optical Activity. Angew. Chemie - Int. Ed. 2021, 60 (39), 21205–21210. https://doi.org/10.1002/anie.202107600.

(4) Spiegel, M.; Gamian, A.; Sroka, Z. Antiradical Activity of Beetroot (Beta Vulgaris l.) Betalains. Molecules 2021, 26(9), 2439. https://doi.org/10.3390/molecules26092439.

(5) Spiegel, M.; Gamian, A.; Sroka, Z. A Statistically Supported Antioxidant Activity Dft Benchmark—the Effects of Hartree–Fock Exchange and Basis Set Selection on Accuracy and Resources Uptake. Molecules 2021, 26 (16), 5058. https://doi.org/10.3390/molecules26165058.

(6) Malchrzak, W.; Mastalerz-Migas, A.; Sroka, Z.; Spiegel, M. One Year of the COVID‐19 Pandemic. What Do We Know and What Is Yet to Come? — The Summarising Review. Int. J. Public Health 2021, 66. https://doi.org/10.3389/ijph.2021.1603975.

(7) Spiegel, M.; Sroka, Z. Natural Dihydroisobenzofuran Derivatives as a Template for Promising Radical Scavengers: Theoretical Insights into Structure–Activity Relationships, Thermochemistry and Kinetics. Theor. Chem. Acc. 2022, 141 (11), 1–14. https://doi.org/10.1007/s00214-022-02922-5.

(8) Spiegel, M.; Marino, T.; Prejanò, M.; Russo, N. Antioxidant and Copper-Chelating Power of New Molecules Suggested as Multiple Target Agents against Alzheimer’s Disease. A Theoretical Comparative Study. Phys. Chem. Chem. Phys. 2022, 24 (26), 16353–16359. https://doi.org/10.1039/d2cp01918c.

(9) Spiegel, M.; Krzyżek, P.; Dworniczek, E.; Adamski, R.; Sroka, Z. In Silico Screening and in Vitro Assessment of Natural Products with Anti-Virulence Activity against Helicobacter Pylori. Molecules 2022, 27 (1), 20. https://doi.org/10.3390/molecules27010020.

(10) Spiegel, M.; Marino, T.; Prejanò, M.; Russo, N. On the Scavenging Ability of Scutellarein against the OOH Radical in Water and Lipid-like Environments: A Theoretical Study. Antioxidants 2022, 11 (2), 224. https://doi.org/10.3390/antiox11020224.

(11) Spiegel, M.; Marino, T.; Prejanò, M.; Russo, N. Primary and Secondary Antioxidant Properties of Scutellarin and Scutellarein in Water and Lipid-like Environments: A Theoretical Investigation. J. Mol. Liq. 2022, 366, 120343. https://doi.org/10.1016/j.molliq.2022.120343.

(12) Dudek, A.; Spiegel, M.; Strugała-Danak, P.; Gabrielska, J. Analytical and Theoretical Studies of Antioxidant Properties of Chosen Anthocyanins; A Structure-Dependent Relationships. Int. J. Mol. Sci. 2022, 23 (10), 5432. https://doi.org/10.3390/ijms23105432.

(13) Strugała-Danak, P.; Spiegel, M.; Hurynowicz, K.; Gabrielska, J. Interference of Malvidin and Its Mono- and Di-Glucosides on the Membrane — Combined in Vitro and Computational Chemistry Study. J. Funct. Foods 2022, 99(August), 105340. https://doi.org/10.1016/j.jff.2022.105340.

(14) Spiegel, M. Current Trends in Computational Quantum Chemistry Studies on Antioxidant Radical Scavenging Activity. J. Chem. Inf. Model. 2022, 62 (11), 2639–2658. https://doi.org/10.1021/acs.jcim.2c00104.

(15) Spiegel, M. Theoretical Insights into the Oxidative Stress-Relieving Properties of Pinocembrin — An Isolated Flavonoid from Honey and Propolis. J. Phys. Chem. B 2023, 127 (1), 8769–8779. https://doi.org/10.1021/acs.jpcb.3c03545.

(16) Spiegel, M.; Sroka, Z. Quantum-Mechanical Characteristics of Apigenin: Antiradical, Metal Chelation and Inhibitory Properties in Physiologically Relevant Media. Fitoterapia 2023, 164 (October 2022), 105352. https://doi.org/10.1016/j.fitote.2022.105352.

(17) Spiegel, M.; Ciardullo, G.; Marino, T.; Russo, N. Computational Investigation on the Antioxidant Activities and on the Mpro SARS-CoV-2 Non-Covalent Inhibition of Isorhamnetin. Front. Chem. 2023, 11 (January), 1–13. https://doi.org/10.3389/fchem.2023.1122880.

(18) Strugała-Danak, P.; Spiegel, M.; Gabrielska, J. Malvidin and Its Mono- and Di-Glucosides Forms: A Study of Combining Both In Vitro and Molecular Docking Studies Focused on Cholinesterase, Butyrylcholinesterase, COX-1 and COX-2 Activities. Molecules 2023, 28 (23), 7872. https://doi.org/10.3390/molecules28237872.

(19) Spiegel, M.; Cel, K.; Sroka, Z. The Mechanistic Insights into the Role of PH and Solvent on Antiradical and Prooxidant Properties of Polyphenols — Nine Compounds Case Study. Food Chem. 2023, 407, 134677. https://doi.org/10.1016/j.foodchem.2022.134677.

(20) Spiegel, M.; Semidalas, E.; Martin, J. M. L.; Bentley, M. R.; Stanton, J. F. Post-CCSD(T) Corrections to Bond Distances and Vibrational Frequencies: The Power of Λ. Mol. Phys. 2023. https://doi.org/10.1080/00268976.2023.2252114.

(21) Selahi, D.; Spiegel, M.; Hadzik, J.; Pitułaj, A.; Michalak, F.; Kubasiewicz-Ross, P.; Dominiak, M. The Appliance of A-PRF and CGF in the Treatment of Impacted Mandibular Third Molar Extraction Sockets—Narrative Review. Appl. Sci. 2023, 13 (1), 165. https://doi.org/10.3390/app13010165.

(22) Boulebd, H.; Spiegel, M. Computational Assessment of the Primary and Secondary Antioxidant Potential of Alkylresorcinols in Physiological Media. RSC Adv. 2023, 13 (42), 29463–29476. https://doi.org/10.1039/D3RA05967G.

(23) Spiegel, M.; Adamo, C. Tuning the Photophysical Properties of Ru(II) Photosensitizers for PDT by Protonation and Metallation: A DFT Study. J. Phys. Chem. A 2023, 127 (16), 3625–3635. https://doi.org/10.1021/acs.jpca.3c00839.