Dr. Ivana Antol
Ruđer Bošković Institute
Bijenička 54
HR-10000 Zagreb
Education
1991.-1996. |
dodiplomski studij: Prirodoslovno-matematički fakultet, Sveučilište u Zagrebu |
29. 2. 1996. |
Diplomski rad: " Utjecaj ionske jakosti na adsorpciju salicilne kiseline na okside željeza i silicija " |
1997.- 2003. |
poslijediplomski studij: Poslijediplomski studij prirodnih znanosti, Prirodoslovno-matematički fakultet, Sveučilište u Zagrebu |
2. 2. 2000. |
Magistarski rad: " Ab initio studij fotoprotoniranja monosupstituiranih benzena " |
11. 3. 2003. |
Doktorski rad: " Protoniranje i deprotoniranje modelnih molekula u elektronski pobuđenim stanjima " |
Usavršavanje:
2. 3. 2009. - 28. 2. 2010. |
poslijedoktorska specijalizacija, Institut za organsku kemiju Westfaelische Wilhelms Sveučilišta u Muensteru |
2000. – 2008. |
kraći studijski boravaci, Institut für Theoretische Chemie, Universität of Wien, Austria |
17.-30. 9. 2000. |
European Summerschool on Quantum Chemistry (ESQC), Riolo Terme, Italy |
29. 11.-3. 12. 1999. |
Training Course on Molecular Modelling and Computer Assisted Combinatorial Chemistry, Trieste, Italy |
21.-24. 4. 1998. |
Gaussian Workshop, “Introduction to Gaussian: Theory and Practice”, Rome, Italy |
9.-17. 1. 1998. |
7th Postgraduate Winter School on Organic Reactivity (WISOR VII), Bressanone, Italy |
Projects
- "Mehanizam [2+2] fotocikloadicije u norbornadienu" Zaklade Hrvatske akademije znanosti i umjetnosti 2011.
- "Teorijski studij biološki relevantnih fotokemijskih reakcija" Nacionalne zaklade za znanost, visoko školstvo i tehnologijski razvoj Republike Hrvatske, program “Priljev mozgova – PostDoc” 2. 3. 2009. - 2. 3. 2010.
Awards and Achievements
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Publications
Books and book chapters
Book chapters
Barbatti, M., Ruckenbauer, M., Szymczak, Jaroslaw, J., Sellner, B., Vazdar, M., Antol, I., Eckert-Maksić, M. & Lischka, H. (2012) Model systems for dynamics of pi-conjugated biomolecules in excited states. U: Leszczynski, J. (ur.) Handbook of Computational Chemistry. Berlin Heidelberg, Springer-Verlag, str. 1175-1213.
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Eckert-Maksić, M., Antol, I., Vazdar, M., Barbatti, M. & Lischka, H. (2010) Formamide as the Model Compound for Photodissociation Studies of the Peptide Bond, Kinetics and Dynamics. U: Paneth, P. & Dybala-Defratyka, A. (ur.) Kinetics and Dynamics: From Nano- to Bio-Scale. Netherlands, Springer, str. 77-107 doi:10.1007/978-90-481-3034-4_3.
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Journal articles
Scientific and review papers
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Murata, R., Wang, Z., Miyazawa, Y., Antol, I., Yamago, S. & Abe, M. (2021) SOMO–HOMO Conversion in Triplet Carbenes. Organic letters, 23 (13), 4955-4959 doi:10.1021/acs.orglett.1c01137.
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Miyazawa, Y., Wang, Z., Matsumoto, M., Hatano, S., Antol, I., Kayahara, E., Yamago, S. & Abe, M. (2021) 1,3-Diradicals Embedded in Curved Paraphenylene Units: Singlet versus Triplet State and In-Plane Aromaticity. Journal of the American Chemical Society, 143 (19), 7426-7439 doi:10.1021/jacs.1c01329.
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Zlatić, K., Cindrić, M., Antol, I., Uzelac, L., Mihaljević, B., Kralj, M. & Basarić, N. (2021) Wavelength dependent photochemistry of BODIPY-phenols and their applications in fluorescent labeling of proteins. Organic & biomolecular chemistry, 19 (22), 4891-4903 doi:10.1039/D1OB00278C.
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Zlatić, K., Antol, I., Uzelac, L., Mikecin Dražić, A., Kralj, M., Bohne, C. & Basarić, N. (2020) Labeling of Proteins by BODIPY-Quinone Methides utilizing Anti- Kasha Photochemistry. ACS applied materials & interfaces, 12 (1), 347-351 doi:10.1021/acsami.9b19472.
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Antol, I., Barešić, L., Glasovac, Z. & Margetić, D. (2019) Computational Study of Electronic Influence of Guanidine Substitution on Diels-Alder Reactions of Heterocyclic Dienes. Croatica chemica acta, 92 (2), 279-286 doi:10.5562/cca3570.
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Matsumoto, M., Antol, I. & Abe, M. (2019) Curve Effect on Singlet Diradical Contribution in Kekulé-type Diradicals: A Sensitive Probe for Quinoidal Structure in Curved π-Conjugated Molecules. Molecules, 24 (1), 209, 8 doi:10.3390/molecules24010209.
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Škalamera, Đ., Antol, I., Mlinarić-Majerski, K., Vančik, H., Phillips, D., Ma, J. & Basarić, N. (2018) Ultrafast Adiabatic Photodehydration of o-hydroxymethylphenol and Formation of Quinone Methide. Chemistry : a European journal, 2018 (24), 9426-9435 doi:10.1002/chem.201801543.
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Škalamera, Đ., Blažek Bregović, V., Antol, I., Bohne, C. & Basaric, N. (2017) Hydroxymethylaniline photocages for carboxylic acids and alcohols. Journal of organic chemistry, 82 (23), 12554-12568 doi:10.1021/acs.joc.7b02314.
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Antol, I. & Eckert-Maksić, M. (2017) The influence of multiple fluorination on the ring opening of [2.2.2]propellane. Croatica chemica acta, 90 (2), 215-223 doi:10.5562/cca3172.
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Antol, I. & Margetić, D. (2016) A DFT study of endocyclic allenes: unprecedentedly superbasic hydrocarbons. New journal of chemistry, 40, 8191-8193 doi:10.1039/C6NJ00623J.
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Antol, I., Glasovac, Z., Margetić, D., Crespo-Otero, R. & Barbatti, M. (2016) Insights on the Auxochromic Properties of Guanidinium Group. The Journal of Physical Chemistry Part A, 120 (36), 7088-7100 doi:10.1021/acs.jpca.6b05180.
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Cindro, N., Antol, I., Mlinarić-Majerski, K., Halasz, I., Wan, P. & Basarić, N. (2015) Reactivity of cations and zwitterions formed in photochemical and acid-catalyzed reactions from m-hydroxycycloalkyl substituted phenol derivatives. Journal of organic chemistry, 80 (24), 12420-12430 doi:10.1021/acs.joc.5b02297.
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Šagud, I., Antol, I., Marinić, Ž. & Šindler-Kulyk, M. (2015) Photoinduced Intramolecular formal [4 + 2] Cycloaddition of Aryl-Substituted o-Vinylstyryl-2-oxazoles To Form Benzo[f]quinoline Derivatives: Experimental Results and Theoretical Interpretation. The Journal of Organic Chemistry, 80, 9535-9541 doi:10.1021/acs.joc.5b01504.
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Štrukil, V., Antol, I. & Glasovac, Z. (2014) The utility of 1, 5, 7-triazabicyclo[4.4.0]dec-5-ene (TBD) as a hydrogen bond acceptor in the design of novel superbasic guanidines – A computational study. Croatica chemica acta, 87 (4), 423-430 doi:10.5562/cca2487.
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Antol, I., Glasovac, Z., Crespo-Otero, R. & Barbatti, M. (2014) Guanidine and guanidinium cation in the excited state—theoretical investigation. The Journal of chemical physics, 141 (7), 074307-1 doi:10.1063/1.4892569.
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Šumanovac Ramljak, T., Sohora, M., Antol, I., Kontrec, D., Basarić, N. & Mlinarić-Majerski, K. (2014) Memory of chirality in the phthalimide photocyclization of adamantane dipeptides. Tetrahedron letters, 55 (30), 4078-4081 doi:10.1016/j.tetlet.2014.05.118.
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Eckert-Maksić, M., Antol, I. & Vazdar, M. (2014) Nonadiabatic Photodynamical Simulations in the Gas Phase and in the Argon Matrix. Computational and theoretical chemistry, 1040/1041, 136-143 doi:10.1016/j.comptc.2014.02.025.
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Veljković, J., Antol, I., Basarić, N., Smrečki, V., Molčanov, K., Müller, N. & Mlinarić-Majerski, K. (2013) Atropisomerism in 1-(2-Adamantyl)naphthalene Derivatives. Journal of molecular structure, 1046, 101-109 doi:10.1016/j.molstruc.2013.04.027.
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Antol, I. (2013) Photodeactivation paths in norbornadiene. Journal of computational chemistry, 34 (17), 1439-1445 doi:10.1002/jcc.23270.
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Antol, I., Eckert-Maksić, M., Vazdar, M., Ruckenbauer, M. & Lischka, H. (2012) QM/MM nonadiabatic decay dynamics of formamide in polar and nonpolar solvents. Physical Chemistry Chemical Physics, 14 (38), 13262-13272 doi:10.1039/C2CP41830D.
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Glasovac, Z., Antol, I., Vazdar, M. & Margetić, D. (2009) Zwitterionic structures of strained cis-pyramidalised disilenes – Fact or artifact. Theoretical chemistry accounts, 124 (5-6), 421-430 doi:10.1007/s00214-009-0633-x.
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Eckert-Maksić, M. & Antol, I. (2009) Study of the mechanism of the N-CO photodissociation in N, N-dimethylformamide by direct trajectory surface hopping simulations. The Journal of Physical Chemistry A, 113 (45), 12582-12590 doi:10.1021/jp9046177.
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Antol, I., Eckert-Maksić, M., Ončák, M., Slavíček, P. & Lischka, H. (2008) Photodissociation pathways of acetone upon excitation into the 3s Rydberg state: adiabatic versus diabatic mechanism. Collection of Czechoslovak chemical communications, 73 (11), 1475-1494 doi:10.1135/cccc20081475.
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Antol, I., Vazdar, M., Barbatti, M. & Eckert-Maksić, M. (2008) The effect of protonation on the photodissociation processes in formamide – an ab initio surface hopping dynamics study. Chemical physics, 349 (1-3), 308-318 doi:10.1016/j.chemphys.2008.01.026.
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Antol, I., Barbatti, M., Eckert-Maksić, M. & Lischka, H. (2008) Quantum chemical calculations of electronically excited states: formamide, its protonated form and alkali cation complexes as case studies. Monatshefte für Chemie, 139 (4), 319-328 doi:10.1007/s00706-007-0803-2.
doi Antol, I., Eckert-Maksić, M., Barbatti, M. & Lischka, H. (2007) Simulation of the photodeactivation of formamide in the nO-pi* and pi-pi* states: an ab initio on-the-fly surface-hopping dynamics study. Journal of Chemical Physics, 127 (23), 234303-1.
Antol, I., Eckert-Maksić, M., Lischka, H. & Maksić, Z. (2007) [2.2.2]Propellane Isomerization via Grob Rearrangement - An Ab Initio MR-AQCC Study. European Journal of Organic Chemistry, 2007 (19), 3173-3178.
Antol, I., Eckert-Maksić, M. & Lischka, H. (2004) Ab Initio MR-CISD Study of Gas-Phase Basicity of Formamide in the First Excited Singlet State. Journal of Physical Chemistry A, 108 (46), 10317-10325.
Antol, I., Glasovac, Z. & Eckert-Maksić, M. (2004) Ab Initio MO and DFT Study of syn-Sesquinorbornatrienyl Dication and its Isoelectronic Boron Analogue. New Journal of Chemistry, 28 (7), 880-886.
Antol, I., Eckert-Maksić, M., Lischka, H. & Maksić, Z. (2004) On the Bond-Stretch Isomerism in Benzo[1, 2:4, 5]dicyclobutadiene System - An Ab Initio MR-AQCC Study. ChemPhysChem, 5, 975-981.
Antol, I., Eckert-Maksić, M. & Klessinger, M. (2003) Ab initio study of excited state protonation of monosubstituted benzenes. Journal of molecular structure. Theochem, 664-665, 309-317.
Antol, I., Eckert-Maksić, M., Mueller, T., Dallos, M. & Lischka, H. (2003) Valence and Rydberg states of protonated formaldehyde. Chemical Physics Letters, 374 (5-6), 587-593.
Margetić, D., Warrener, R., Eckert-Maksić, M., Antol, I. & Glasovac, Z. (2003) A DFT Study of Pyramidalized Alkenes: 7-Oxasesquinorbornenes and 7, 7'-Dioxasesquinorbornenes. Theoretical Chemistry Accounts, 109 (4), 182-189.
Antol, I., Glasovac, Z., Hare, M., Eckert-Maksić, M. & Kass, S. (2003) On the Acidity of Cyclopropanaphthalenes. Gas Phase and Computational Studies. International Journal of Mass Spectrometry, 222 (1), 11-26.
Eckert-Maksić, M., Antol, I., Margetić, D. & Glasovac, Z. (2002) Syn-Sesquinorbornenyl carbocations and their boron analogues: an ab initio and DFT study. Journal of the Chemical Society Perkin Transaction 2, - (12), 2057-2063.
Eckert-Maksić, M., Antol, I., Klessinger, M. & Maksić, Z. (1999) The Proton Affinity of Some Substituted Naphtalenes. Journal of physical organic chemistry, 12, 597-604.
Antol, I., Eckert-Maksić, M., Margetić, D., Maksić, Z., Kowski, K. & Rademacher, P. (1998) Molecular and electronic structure and gas-phase pyrolitic generation of 7,7'-dioxasesquinorbornenes. European journal of organic chemistry, - (7), 1403-1408.
Kovačević, D., Kallay, N., Antol, I., Pohlmeier, A., Lewandowski, H. & Narres, H. (1998) The Use of Electrokinetic Potential in the Interpretation of Adsorption Phenomena. Adsorption of Salicylic Acid on Hematite. Colloids and Surfaces. A, 140 (1-3), 261-267.
Eckert-Maksić, M., Klessinger, M., Antol, I. & Maksić, Z. (1997) Additivity of proton affinities in disubstituted naphthalenes. Journal of physical organic chemistry, 10 (6), 415-419.
Conference proceedings papers
Scientific conference proceedings papers
Margetić, D., Warrener, R., Eckert-Maksić, M., Antol, I. & Glasovac, Z. (2004) A DFT Study of Pyramidalized Alkenes: 7-Oxasesquinorbornenes and 7, 7'-Dioxasesquinorbornenes. U: Seijas, J. & Tato, M. (ur.)Proceedings of ECSOC-8 : The Eighth International Electronic Conference on Synthetic Organic Chemistry.
Theses
Doctoral dissertation
Antol, I. (2003) 'Protonation and deprotonation of model molecules in electronic excited states', doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb.
Master thesis
Antol, I. (2000) 'Ab initio study of photoprotonation of monosubstituted benzenes', magistarski rad, Prirodoslovno-matematički fakultet, Zagreb.
Membership in professional associations / societies
- član Hrvatskog kemijskog društva
- urednica laboratorijskih web starnica od 2010.-2011.
- sudjelovanje u organizaciji simpozija “Ruđer Josip Bošković / Physicist and Astronomer” povodom 300-te obljetnice rođenja R.J. Boškovića, Prirodoslovno-matematički fakultet, Zagreb, 20. 5. 2011
- sudjelovanje u organizaciji WORKSHOP-a: Computational Modelling of Properties and Reactivity of Molecules in the Ground and the Excited States, Institut Ruđer Bošković, Zagreb, 6.-7. 12. 2007.
- sudjelovanje u organizaciji “8th European Symposium on Organic Reactivity» (ESOR-8), Cavtat (Dubrovnik), Hrvatska, 1. - 6. 9. 2001. i pripremi tematskog broja J. Phys. Org. Chem. Volumen 15 Svezak 8, 2002 godine, posvećenog toj konferenciji